SCHEMBL1328236

SCHEMBL1328236

Cc1ccncc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
PRKCI P41743 5/20 0.43
AXL P30530 2/20 0.43
IGF1R P08069 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
CDK2 P24941 1/20 0.43
AURKB Q96GD4 3/20 0.39
AURKA O14965 2/20 0.39
INCENP Q9NQS7 2/20 0.39
TPX2 Q9ULW0 2/20 0.39

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
SCHEMBL1328408 0.84 ROCK1 (0.46) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1328069 0.80 PRKCI (0.46) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL3728671 0.79 PRKCI (0.42) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1328009 0.78 PRKCI (0.44) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1329456 0.78 AAK1 (0.47) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1327885 0.77 PRKCI (0.42) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1329771 0.77 AAK1 (0.59) NUDT1CYP1A2CYP2E1CYP3A4CYP2D6
SCHEMBL1328685 0.75 PRKCI (0.41) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL1329786 0.75 PRKCI (0.47) NUDT1PRKCIAXLIGF1RDYRK1B
SCHEMBL76545 0.75 PRKCI (0.47) NUDT1PRKCIAXLIGF1RDYRK1B

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 NUDT1 3161/4885CYP1A2 2462/4885CYP2E1 2674/4885

“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.