SCHEMBL1328232

SCHEMBL1328232

CN(C)c1ccc(C#Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.50
MAPT P10636 5/20 0.47
IKBKB O14920 2/20 0.42
PRKCI P41743 2/20 0.41
AXL P30530 1/20 0.41
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
ROCK1 Q13464 2/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL1328009 0.84 PRKCI (0.44) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL12125812 0.81 PRKCI (0.44) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL1327734 0.81 PRKCI (0.44) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL1328469 0.81 PRKCI (0.44) SNCAIKBKBPRKCIAXLJAK2
SCHEMBL1329976 0.81 PRKCI (0.44) MAPTIKBKBPRKCIAXLJAK2
SCHEMBL1328069 0.81 PRKCI (0.46) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL857174 0.81 JAK2 (0.53) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL858643 0.81 TTBK1 (0.46) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL1327888 0.79 IKBKB (0.55) IKBKBPRKCIAXLJAK2JAK3
SCHEMBL1329235 0.78 CIT (0.44) IKBKBPRKCIAXLJAK2JAK3

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
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

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 SNCA 4459/4885MAPT 2408/4885IKBKB 436/4885

“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.