SCHEMBL1704103

SCHEMBL1704103

Cc1ccc(NC(=O)c2sccc2NC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
PKM P14618 2/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
F10 P00742 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1704235 0.87 LMNA (0.54) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1704322 0.82 MEN1 (0.63) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL17664660 0.82 PKM (0.74) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1703499 0.80 PKM (0.52) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1703373 0.79 NPC1 (0.56) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1703451 0.79 MEN1 (0.45) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1703359 0.78 LMNA (0.55) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL1703761 0.77 HPGD (0.57) RAB9ANPC1KMT2AMEN1NPSR1
SCHEMBL1704320 0.76 RAB9A (0.61) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL23931980 0.76 PTPN2 (0.72) RAB9ANPC1KMT2AMEN1PKM

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 RAB9A 1996/4885NPC1 3005/4885KMT2A 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.