SCHEMBL1328586

SCHEMBL1328586

Cc1cccc(C#Cc2ccnc3[nH]ccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRM1 Q13255 1/20 0.44

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
SCHEMBL1328004 0.83 CCNK (0.39) PRKCIAXLJAK2PRKACAJAK3
SCHEMBL1328230 0.80 PRKCI (0.51) GRM5CYP1A2PRKCIAXLJAK2
SCHEMBL1327879 0.79 NUDT1 (0.42) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3728671 0.79 PRKCI (0.42) PRKCIAXLJAK2PRKACAJAK3
SCHEMBL1328685 0.78 PRKCI (0.41) PRKCIAXLJAK2PRKACAJAK3
SCHEMBL1328408 0.77 ROCK1 (0.46) GRM5PRKCIAXLJAK2PRKACA
SCHEMBL1329223 0.76 GRM5 (0.43) GRM5PRKCIAXLJAK2PRKACA
SCHEMBL1328989 0.76 PRKCI (0.45) PRKCIAXLJAK2PRKACAJAK3
SCHEMBL1329786 0.75 PRKCI (0.47) PRKCIAXLJAK2PRKACAJAK3
SCHEMBL76545 0.75 PRKCI (0.47) PRKCIAXLJAK2PRKACAJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 GRM5 3751/4885NPC1 3507/4885RAB9A 1172/4885

“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.