SCHEMBL1703499

SCHEMBL1703499

CCC(Cl)C(=O)Nc1ccsc1C(=O)Nc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDR P35968 1/20 0.46
F10 P00742 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL1703806 0.89 L3MBTL1 (0.51) PKMNPSR1RAB9ANPC1MEN1
SCHEMBL1703558 0.86 MAPT (0.56) PKMNPSR1RAB9ANPC1MEN1
SCHEMBL1704097 0.83 MEN1 (0.43) PKMNPSR1RAB9AMEN1KMT2A
SCHEMBL1704203 0.82 L3MBTL1 (0.46) NPSR1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1704103 0.80 RAB9A (0.60) PKMATMNPSR1RAB9ANPC1
SCHEMBL1703658 0.80 RAB9A (0.52) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL1703491 0.74 LMNA (0.49) PKMATMNPSR1RAB9ANPC1
SCHEMBL17664660 0.72 PKM (0.74) PKMATMRAB9ANPC1MEN1
SCHEMBL13262090 0.71 ALDH1A1 (0.53) PKMNPSR1RAB9ANPC1MEN1
SCHEMBL1703373 0.70 NPC1 (0.56) PKMATMNPSR1RAB9ANPC1

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 PKM 3015/4885ATM 1132/4885NPSR1 3227/4885

“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.