SCHEMBL13596386

SCHEMBL13596386

COc1ccc2nc(-c3n[nH]cc3/C=C/c3ccc(N)nc3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.48
AURKA O14965 6/20 0.48
NPC1 O15118 4/20 0.47
TP53 P04637 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ERBB2 P04626 3/20 0.47
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
ATR Q13535 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL13596384 0.88 KDR (0.48) KDRAURKANPC1TP53HPGD
SCHEMBL4782770 0.83 KDR (0.69) KDRAURKANPC1TP53HPGD
SCHEMBL4782775 0.83 KDR (0.69) KDRAURKANPC1TP53HPGD
SCHEMBL13596389 0.82 KDR (0.68) KDRAURKANPC1TP53HPGD
SCHEMBL4781712 0.82 KDR (0.68) KDRAURKANPC1TP53HPGD
SCHEMBL14223421 0.80 KDR (0.59) KDRAURKANPC1TP53HPGD
SCHEMBL13596385 0.78 KDR (0.68) KDRAURKANPC1TP53HPGD
SCHEMBL13596387 0.78 KDR (0.71) KDRAURKANPC1TP53HPGD
SCHEMBL4413745 0.77 KDR (0.74) KDRAURKANPC1TP53HPGD
SCHEMBL13596383 0.77 KDR (0.74) KDRAURKANPC1TP53HPGD

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 4185/4885AURKA 237/4885NPC1 4476/4885

“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.