SCHEMBL4238196

SCHEMBL4238196

Cn1c(NCCN2CCOCC2)nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TRPC5 Q9UL62 1/20 0.40
MAPK8 P45983 6/20 0.38
MAPK10 P53779 5/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
LCK P06239 3/20 0.38
PDE2A O00408 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
FGFR1 P11362 2/20 0.37
SRC P12931 2/20 0.37
USP2 O75604 2/20 0.37
MAPK1 P28482 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
SCHEMBL4238199 1.00 SMN1; SMN2 (0.40) SMN1; SMN2TRPC5MAPK8MAPK10MAPK13
SCHEMBL4248199 0.92 LCK (0.43) SMN1; SMN2TRPC5MAPK8MAPK10MAPK13
SCHEMBL4248201 0.92 LCK (0.43) SMN1; SMN2TRPC5MAPK8MAPK10MAPK13
SCHEMBL4237563 0.88 MAPK1 (0.46) SMN1; SMN2PDE2AALDH1A1MAPK1ALOX5
SCHEMBL4237561 0.88 MAPK1 (0.46) SMN1; SMN2PDE2AALDH1A1MAPK1ALOX5
SCHEMBL4242002 0.86 TP53 (0.39) SMN1; SMN2ALDH1A1FGFR1USP2ALOX5
SCHEMBL4241997 0.86 TP53 (0.39) SMN1; SMN2ALDH1A1FGFR1USP2ALOX5
SCHEMBL4237615 0.86 CSF1R (0.42) MAPK14ALDH1A1ALOX5TSHR
SCHEMBL4237618 0.86 CSF1R (0.42) MAPK14ALDH1A1ALOX5TSHR
SCHEMBL4247098 0.85 RAD52 (0.36) LCKCYP2D6ALOX5

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 SMN1; SMN2 2249/4885TRPC5 4391/4885MAPK8 1276/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA SMN1; SMN2 2523/4885TRPC5 1166/4885MAPK8 1644/4885

“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.