SCHEMBL602408

SCHEMBL602408

O=C1Nc2ncc(Br)cc2C1=Cc1ccc2c(C=Cc3cccnc3)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.50
CHEK1 O14757 10/20 0.45
MAP3K11 Q16584 1/20 0.45
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
RAF1 P04049 3/20 0.41
CCNA1 P78396 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
JAK3 P52333 1/20 0.40
GSK3B P49841 1/20 0.39
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCND3 P30281 2/20 0.38
KDR P35968 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
TTK P33981 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
SCHEMBL602406 1.00 NTRK1 (0.50) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL15848833 1.00 NTRK1 (0.50) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL602407 1.00 NTRK1 (0.50) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL12795335 0.90 NTRK1 (0.48) NTRK1CHEK1CCNA2CDK2RAF1
SCHEMBL13654230 0.90 CHEK1 (0.45) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL6532142 0.89 CHEK1 (0.48) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL12795347 0.89 CHEK1 (0.48) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL6532138 0.89 CHEK1 (0.48) NTRK1CHEK1MAP3K11CCNA2CDK2
SCHEMBL6533042 0.88 GSK3B (0.48) CHEK1RAF1MAPTMAPK1HTT
SCHEMBL6533045 0.88 GSK3B (0.48) CHEK1RAF1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 NTRK1 318/4885CHEK1 97/4885MAP3K11 108/4885

“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.