SCHEMBL1703648

SCHEMBL1703648

Cc1cccc(NC(=O)c2sccc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
CISD2 Q8N5K1 1/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RXFP1 Q9HBX9 2/20 0.55
MAPT P10636 4/20 0.54
PKM P14618 2/20 0.54
POLB P06746 2/20 0.54
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.51
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 3/20 0.51
KCNH2 Q12809 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL1703768 0.83 RAB9A (0.64) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL7532801 0.83 FADS1 (0.59) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL1703373 0.82 NPC1 (0.56) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL1704322 0.82 MEN1 (0.63) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL1703428 0.82 DHODH (0.51) RAB9ASMN1; SMN2NPC1CISD2MEN1
SCHEMBL890809 0.81 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL633663 0.78 RAB9A (0.50) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL259352 0.76 MEN1 (0.72) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL31424193 0.76 MEN1 (0.72) RAB9AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL1704052 0.76 ALDH1A1 (0.49) RAB9AALDH1A1TP53SMN1; SMN2NPC1

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 1996/4885ALDH1A1 1821/4885TP53 311/4885

“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.