SCHEMBL22493779

SCHEMBL22493779

CC(C)(C#N)CNc1nccc([S-])c1Cl.[Na+]

nearest known ligand 0.32

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 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MBOAT4 Q96T53 2/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22493746 0.82 IDH1 (0.32) IDH1IDH2BRD4KDM4EALDH1A1
SCHEMBL21855870 0.82 IDH1 (0.34) IDH1IDH2KDM4EALDH1A1HPGD
SCHEMBL21856089 0.71
SCHEMBL22493711 0.71 SLC22A12 (0.37) KDM4EALDH1A1
SCHEMBL31288549 0.70 KDM4E (0.38) KDM4EALDH1A1LMNATDP1
SCHEMBL22440534 0.70 KDM4E (0.38) KDM4EALDH1A1LMNATDP1
SCHEMBL21855855 0.70 TNF (0.41) IDH1KDM4ELMNA
SCHEMBL22493641 0.70 KMT2A (0.36) KDM4EALDH1A1LMNATDP1
SCHEMBL29641912 0.66
SCHEMBL28693030 0.66 BRD4 (0.33) BRD4KDM4EALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874363-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-11-12 CN disclosed
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 US disclosed
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 US disclosed
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-08-11 US disclosed
EP-3947367-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS Array Biopharma, Inc. (US) 2022-02-09 EP disclosed
CN-113874363-A Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2021-12-31 CN disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 US disclosed
WO-2020201991-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 WO 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 (5 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C IDH1 708/4885IDH2 2303/4885BRD4 3572/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C IDH1 708/4885IDH2 2303/4885BRD4 3572/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C IDH1 708/4885IDH2 2303/4885BRD4 3572/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C IDH1 708/4885IDH2 2303/4885BRD4 3572/4885
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C IDH1 708/4885IDH2 2303/4885BRD4 3572/4885

“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.