SCHEMBL13629291

SCHEMBL13629291

O=C1Nc2cccnc2/C=C\c2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GSK3B P49841 6/20 0.38
CDK2 P24941 4/20 0.38
CDC7 O00311 3/20 0.38
ROCK2 O75116 3/20 0.38
MAP4K4 O95819 3/20 0.38
PRKACA P17612 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
HIPK2 Q9H2X6 2/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHEK1 O14757 1/20 0.36

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
SCHEMBL13629278 0.90 CYP1A2 (0.45) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629303 0.84 CYP1A2 (0.55) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629315 0.83 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629287 0.81 CYP1A2 (0.45) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629277 0.80 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629273 0.80 CYP1A2 (0.57) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629301 0.75 CYP1A2 (0.55) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13629281 0.72 CYP1A2 (0.45) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10
SCHEMBL13859960 0.70 MAOA (0.33) MAOAMAOB
SCHEMBL5094762 0.70 MAPT (0.61) CYP1A2SMN1; SMN2ALDH1A1ALOX15MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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 (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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET CYP1A2 2949/4885SMN1; SMN2 4077/4885ALDH1A1 1303/4885

“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.