SCHEMBL1696508

SCHEMBL1696508

CCc1nc(-c2ccccc2)c(C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
DDAH1 O94760 1/20 0.46
NPY5R Q15761 2/20 0.45
HPGDS O60760 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
SMPD3 Q9NY59 1/20 0.43
ALK Q9UM73 1/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
XDH P47989 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL26111911 0.84 GAA (0.50) SMN1; SMN2HPGDKDM4ENPY5RHPGDS
SCHEMBL1696433 0.83 TGFBR1 (0.50) TP53L3MBTL1SMN1; SMN2ADORA3ADORA2A
SCHEMBL11189397 0.82 KDM4E (0.53) TP53L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL10274439 0.82 SMN1; SMN2 (0.38) TP53L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5378775 0.81 KDM4E (0.59) TP53L3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL1928634 0.81 PKM (0.49) SMN1; SMN2ADORA2AADORA1HPGDKDM4E
SCHEMBL11282655 0.81 HPGDS (0.45) L3MBTL1SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL13865061 0.81 RAB9A (0.50) SMN1; SMN2ADORA3ADORA2AADORA1HPGD
SCHEMBL1696534 0.80 SMN1; SMN2 (0.43) TP53L3MBTL1SMN1; SMN2ADORA3ADORA2A
SCHEMBL10269022 0.80 SMN1; SMN2 (0.49) TP53L3MBTL1SMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 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 (2 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TP53 2658/4885L3MBTL1 2920/4885SMN1; SMN2 4322/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 TP53 2658/4885L3MBTL1 2920/4885SMN1; SMN2 4322/4885

“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.