SCHEMBL585523

SCHEMBL585523

O=C1Nc2ccccc2C1=Cc1ccc2c(C=Cc3ccncc3)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.53
CDK4 P11802 2/20 0.51
CCNA2 P20248 2/20 0.51
CCND1 P24385 2/20 0.51
CDK2 P24941 2/20 0.51
CCND3 P30281 2/20 0.51
CDK1 P06493 1/20 0.51
TTK P33981 1/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
PLK4 O00444 2/20 0.46
PLK1 P53350 2/20 0.46
PDGFRB P09619 2/20 0.46
RET P07949 1/20 0.46
FLT3 P36888 1/20 0.46
KDR P35968 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45

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
SCHEMBL585522 1.00 CHEK1 (0.53) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12795185 1.00 CHEK1 (0.53) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL30633910 1.00 CHEK1 (0.53) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3712390 0.93 CHEK1 (0.52) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3712387 0.93 CHEK1 (0.52) CHEK1CDK4CCNA2CCND1CDK2
Trifluoroacetic Acid SCHEMBL29147417 0.92 CHEK1 (0.48) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL12795394 0.92 MAPT (0.48) CHEK1CDK4CCNA2CCND1CDK2
Hydrochloric Acid SCHEMBL3790276 0.91 MAPT (0.47) CHEK1CDK4CCNA2CCND1CDK2
Hydrochloric Acid SCHEMBL3790278 0.91 MAPT (0.47) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3786047 0.89 KDR (0.46) CHEK1CDK4CCNA2CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022184049-A1 PLK4 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-09-09 WO disclosed
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
EP-2235004-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER University Health Network (CA) 2010-10-06 EP disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 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 CHEK1 97/4885CDK4 359/4885CCNA2 1330/4885

“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.