SCHEMBL3721742

SCHEMBL3721742

O=Cc1ccc2c(-c3cncnc3)n[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.72
AXL P30530 2/20 0.43
PIM1 P11309 5/20 0.43
KIF11 P52732 1/20 0.41
PDPK1 O15530 1/20 0.41
HSP90AB1 P08238 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
MAP2K4 P45985 4/20 0.39
IDO1 P14902 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPK1 P28482 2/20 0.37
MAPK6 Q16659 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ERN1 O75460 1/20 0.37
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP2K7 O14733 1/20 0.36

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
SCHEMBL3711726 0.84 TTK (1.00) TTKAXLPIM1MAP2K4IDO1
SCHEMBL3709994 0.83 TTK (0.70) TTKAXLPIM1KIF11PDPK1
SCHEMBL4217257 0.76 AXL (0.58) TTKAXLPIM1PDPK1HSP90AB1
SCHEMBL3719323 0.75 TTK (0.59) TTKAXLPIM1KIF11PDPK1
SCHEMBL3717265 0.74 TTK (0.52) TTKAXLFGFR1FGFR2FGFR3
SCHEMBL3711976 0.74 TTK (0.58) TTKPIM1KIF11MAP2K4LRRK2
SCHEMBL6524759 0.74 TTK (0.58) TTKAXLPDPK1HSP90AB1FGFR1
SCHEMBL3538242 0.74 TTK (0.54) TTKKIF11FGFR1
SCHEMBL13727221 0.74 PDPK1 (0.55) TTKKIF11PDPK1
SCHEMBL3796767 0.74 MAPT (0.50) TTKPIM1MAPK1

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 421/4885AXL 480/4885PIM1 753/4885

“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.