SCHEMBL2772033

SCHEMBL2772033

O=C(O)NC(=S)Nc1cccc(-c2ccsc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA2A P29274 4/20 0.42
ADORA3 P0DMS8 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
ADORA1 P30542 4/20 0.40
ADORA2B P29275 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
CNR1 P21554 1/20 0.39
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL12317116 0.85 ADORA1 (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL24516633 0.80 NPC1 (0.53) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2771385 0.77 MEN1 (0.46) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL12095117 0.76 ADORA1 (0.46) ADORA2AADORA3ADORA1ADORA2BIRAK4
SCHEMBL4327363 0.73 KMT2A (0.74) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2773703 0.73 MEN1 (0.56) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL3028344 0.72 GRM5 (0.50) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2771743 0.72 RAB9A (0.49) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL27794463 0.71 IRAK4 (0.40) NPC1CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL31324326 0.70 HSD17B14 (0.56) ADORA2AADORA3KDM4EADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 KMT2A 2653/4885NPC1 3042/4885RAB9A 2804/4885

“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.