SCHEMBL13596390

SCHEMBL13596390

COC(=O)c1cncc(/C=C/c2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.72
ERBB2 P04626 3/20 0.57
AURKA O14965 6/20 0.52
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHEK1 O14757 1/20 0.43
FLT3 P36888 2/20 0.42
FGFR1 P11362 1/20 0.42
MAPT P10636 1/20 0.41
FPR1 P21462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4419429 0.89 KDR (0.74) KDRERBB2AURKACHEK1FLT3
SCHEMBL13596391 0.89 KDR (0.74) KDRERBB2AURKACHEK1FLT3
SCHEMBL4419439 0.89 KDR (0.74) KDRERBB2AURKACHEK1FLT3
SCHEMBL13596389 0.86 KDR (0.68) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL4781712 0.86 KDR (0.68) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL14223421 0.84 KDR (0.59) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL13596387 0.81 KDR (0.71) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL4782775 0.81 KDR (0.69) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL4782770 0.81 KDR (0.69) KDRERBB2AURKAFGFR1KDM4E
SCHEMBL13596383 0.80 KDR (0.74) KDRERBB2AURKAFGFR1KDM4E

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-7638518-B2 Substituted pyrazole kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2009-12-29 US disclosed
US-7638518-B2 Substituted pyrazole kinase inhibitors JANSSEN PHARMACEUTICA (BE) 2009-12-29 US disclosed
US-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 US disclosed
US-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 US disclosed
WO-2008048502-A1 SUBSTITUTED PYRAZOLE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 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-20080153844-A1 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents ADK, ATP5ME, ATP5MK KDR 4185/4885ERBB2 977/4885AURKA 237/4885

“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.