SCHEMBL1328642

SCHEMBL1328642

Nc1cccc(C#Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PDK1 Q15118 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
NUDT1 P36639 3/20 0.40
PRKCI P41743 4/20 0.40
AXL P30530 1/20 0.40
MAP3K14 Q99558 1/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
JAK2 O60674 2/20 0.39
PRKACA P17612 2/20 0.39
JAK3 P52333 2/20 0.39
PRKCQ Q04759 2/20 0.39
ROCK1 Q13464 2/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 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
SCHEMBL1329223 0.84 GRM5 (0.43) AAK1NUDT1PRKCIAXLMAP3K14
SCHEMBL12125704 0.84 AAK1 (0.40) AAK1NUDT1PRKCIAXLIKBKB
SCHEMBL1328028 0.84 NUDT1 (0.56) AAK1NUDT1PRKCIAXLIKBKB
SCHEMBL1327977 0.84 AAK1 (0.46) AAK1NUDT1PRKCIAXLIKBKB
SCHEMBL1329976 0.83 PRKCI (0.44) PIK3CAMTORPDK1NUDT1PRKCI
SCHEMBL857174 0.83 JAK2 (0.53) AAK1NUDT1PRKCIAXLIKBKB
SCHEMBL1329392 0.83 JAK2 (0.51) ASIC3AAK1NUDT1PRKCIAXL
SCHEMBL1330588 0.81 IKBKB (0.60) PRKCIIKBKBCHUKJAK2CDK8
SCHEMBL24678628 0.81 AXL (0.43) ASIC3PIK3CAMTORPDK1AAK1
SCHEMBL1329924 0.81 MAP3K14 (0.44) ASIC3AAK1NUDT1PRKCIAXL

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 6 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
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
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
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 ASIC3 4065/4885PIK3CA 71/4885MTOR 50/4885

“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.