Sugi Predict

Sugi Predict / Compounds / SCHEMBL4413745

SCHEMBL4413745

SCHEMBL4413745

CCNCc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.74
▸ AURKA O14965 6/20 0.74
▸ ERBB2 P04626 5/20 0.74
▸ RET P07949 5/20 0.55
▸ CDK1 P06493 2/20 0.55
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL13596383 1.00 KDR (0.74) KDRAURKAERBB2RETCDK1
SCHEMBL4413740 1.00 KDR (0.74) KDRAURKAERBB2RETCDK1
SCHEMBL14223421 0.90 KDR (0.59) KDRAURKAERBB2RETCDK1
SCHEMBL4781712 0.85 KDR (0.68) KDRAURKAERBB2TP53SMN1; SMN2
SCHEMBL13596389 0.85 KDR (0.68) KDRAURKAERBB2TP53SMN1; SMN2
SCHEMBL14223053 0.82 ERBB2 (0.56) KDRAURKAERBB2RETCDK1
SCHEMBL4419429 0.82 KDR (0.74) KDRAURKAERBB2FGFR1
SCHEMBL4419439 0.82 KDR (0.74) KDRAURKAERBB2FGFR1
SCHEMBL13596391 0.82 KDR (0.74) KDRAURKAERBB2FGFR1
SCHEMBL13596390 0.80 KDR (0.72) KDRAURKAERBB2TP53SMN1; SMN2

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-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
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 237/4885ERBB2 977/4885

“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.