SCHEMBL10125568

SCHEMBL10125568

CCOC(=O)c1csc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.59
RAB9A P51151 7/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 5/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CIT O14578 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ROCK1 Q13464 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HSP90AA1 P07900 2/20 0.43
MAPK1 P28482 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL1717982 0.82 NUDT1 (0.62) NUDT1CITALDH1A1ROCK1
SCHEMBL26706370 0.79 NUDT1 (0.58) NUDT1CITCCNKCDK12
SCHEMBL14510796 0.79 NUDT1 (0.46) NUDT1RAB9ARXFP1CITALDH1A1
SCHEMBL10125127 0.77 NUDT1 (0.57) NUDT1CITROCK1
SCHEMBL10125193 0.76 PANK3 (0.56) NUDT1CITROCK1
SCHEMBL14494761 0.76 NUDT1 (0.64) NUDT1CITROCK1CCNKCDK12
SCHEMBL10124998 0.76 ROCK1 (0.52) NUDT1MAPTPOLBCITGAA
SCHEMBL16380671 0.76 NUDT1 (0.55) NUDT1CITROCK1
SCHEMBL3065517 0.76 MAPT (0.54) RAB9AMAPTNPC1POLBPKM
SCHEMBL10125199 0.76 HPGD (0.57) NUDT1RAB9AMAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US 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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 NUDT1 2466/4885RAB9A 848/4885MAPT 1223/4885

“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.