SCHEMBL1703373

SCHEMBL1703373

Cc1ccc(NC(=O)c2sccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 2/20 0.54
CISD2 Q8N5K1 1/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
F10 P00742 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EDNRB P24530 2/20 0.47
EDNRA P25101 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL633920 0.84 RAB9A (0.59) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL17664660 0.83 PKM (0.74) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL1703428 0.83 DHODH (0.51) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL1703648 0.82 RAB9A (0.56) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL633663 0.80 RAB9A (0.50) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL1704103 0.79 RAB9A (0.60) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL632354 0.77 EPHX2 (0.55) NPC1RAB9AKMT2ASMN1; SMN2ATM
SCHEMBL1703430 0.76 RXFP1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL27496628 0.76 EDNRA (0.58) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL20303197 0.76 MAPT (0.43) NPC1RAB9AKMT2ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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 (1 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB NPC1 3005/4885RAB9A 1996/4885KMT2A 2910/4885

“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.