SCHEMBL1703768

SCHEMBL1703768

COc1cccc(NC(=O)c2sccc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RXFP1 Q9HBX9 1/20 0.59
CISD2 Q8N5K1 1/20 0.59
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
NLRP3 Q96P20 1/20 0.58
PKM P14618 1/20 0.58
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
THRB P10828 1/20 0.54

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
SCHEMBL30300673 0.85 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RXFP1CISD2
SCHEMBL1703648 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2RXFP1CISD2
SCHEMBL1704320 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RXFP1CISD2
SCHEMBL7532801 0.81 FADS1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1703428 0.79 DHODH (0.51) RAB9ANPC1SMN1; SMN2RXFP1CISD2
SCHEMBL890809 0.78 MAPT (0.55) KMT2AALDH1A1MEN1GAAMAPT
SCHEMBL9208778 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2RXFP1KMT2A
SCHEMBL30726106 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2RXFP1KMT2A
SCHEMBL2530312 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2RXFP1KMT2A
SCHEMBL2533805 0.77 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2RXFP1KMT2A

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 3005/4885SMN1; SMN2 3934/4885

“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.