SCHEMBL16320490

SCHEMBL16320490

COc1cccnc1CC(=O)[O-].[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK known ✓ P43405 2/20 0.44
ADORA2A known ✓ P29274 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PLAU P00749 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16364773 0.83 SMN1; SMN2 (0.50) ADORA2ATDP1PLAURAB9ANPC1
SCHEMBL7233267 0.83 ADORA2A (0.43) ADORA2ATDP1PLAURAB9ANPC1
SCHEMBL29796455 0.83 SMN1; SMN2 (0.50) ADORA2ATDP1PLAURAB9ANPC1
SCHEMBL534151 0.82 MAPT (0.48) ADORA2ATDP1PLAURAB9ANPC1
SCHEMBL21801332 0.80 LMNA (0.40) ADORA2ARAB9ANPC1SMN1; SMN2POLB
SCHEMBL932150 0.79 MAPT (0.58) TDP1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL21455719 0.77 MTNR1A (0.48) ADORA2ATDP1PLAURAB9ANPC1
SCHEMBL506497 0.77 ALDH1A1 (0.55) SYKADORA2APLAURAB9ANPC1
Hydrochloric Acid SCHEMBL11095592 0.75 ALDH1A1 (0.53) SYKADORA2APLAURAB9ANPC1
SCHEMBL796222 0.75 L3MBTL1 (0.46) PLAURAB9ANPC1TP53PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-23 US disclosed
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9850258-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-20170283438-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-10-05 US disclosed
US-9714234-B2 Carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 US disclosed
EP-3013814-B1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-14 EP disclosed
EP-3013815-B1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
US-20160200710-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-07-14 US disclosed
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 US disclosed
US-9334290-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-10 US disclosed
EP-3013815-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-04 EP disclosed
EP-3013814-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-04 EP disclosed
WO-2014210085-A9 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2014210087-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-31 WO disclosed
WO-2014210085-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-31 WO disclosed
US-20140378475-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378475-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885
US-20160200710-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, SYK SYK 3/4885ADORA2A 3343/4885TDP1 1084/4885
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 SYK 7/4885ADORA2A 4012/4885TDP1 1111/4885
US-20170283438-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 SYK 6/4885ADORA2A 3877/4885TDP1 1284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.