SCHEMBL3705844

SCHEMBL3705844

O=Cc1ccc2c(-c3nccs3)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.55
ADORA1 P30542 3/20 0.50
ADORA2A P29274 2/20 0.50
CDC7 O00311 1/20 0.40
CHEK1 O14757 2/20 0.38
CDK7 P50613 1/20 0.38
KIF11 P52732 1/20 0.37
CYP2A6 P11509 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
MAPK1 P28482 1/20 0.34
PDPK1 O15530 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PIM1 P11309 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
AKT1 P31749 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
MAP2K4 P45985 1/20 0.33

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
SCHEMBL3711312 0.77 TTK (0.56) TTKADORA2ACDC7CHEK1KIF11
SCHEMBL3719498 0.76 MAPT (0.44) MAPK1PIM1GSK3B
SCHEMBL3719503 0.76 MAPT (0.44) MAPK1PIM1GSK3B
SCHEMBL3709994 0.76 TTK (0.70) TTKCHEK1KIF11MAPK1PDPK1
SCHEMBL5388742 0.75 LRRK2 (0.54) TTKADORA1ADORA2ACDC7MAPK1
SCHEMBL3719323 0.73 TTK (0.59) TTKCHEK1CDK7KIF11CYP2A6
SCHEMBL12514626 0.73 CHEK1 (0.47) ADORA1ADORA2ACDC7CHEK1CDK7
SCHEMBL3721742 0.71 TTK (0.72) TTKKIF11MAPK1PDPK1HSP90AB1
SCHEMBL4290310 0.71 FLT3 (0.56) TTKADORA1ADORA2ACDC7CHEK1
SCHEMBL3711726 0.71 TTK (1.00) TTKCHEK1PIM1MAP2K4

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 6 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
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
CN-101970426-A Indazolyl-, benzimidazolyl-, benzotriazolyl-substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIV HEALTH NETWORK 2011-02-09 CN 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 TTK 421/4885ADORA1 937/4885ADORA2A 1001/4885

“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.