SCHEMBL6524759

SCHEMBL6524759

CN(C)c1ccc(-c2n[nH]c3cc(C=O)ccc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.58
TDO2 P48775 1/20 0.43
MAP3K11 Q16584 2/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAP2K4 P45985 6/20 0.38
PDPK1 O15530 3/20 0.38
HSP90AB1 P08238 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK6 Q16659 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 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
SCHEMBL12795357 0.77 MAPT (0.41) TTKNPC1RAB9APDPK1MAPK1
SCHEMBL3790484 0.75 RET (0.46) PRKAA1NPC1POLBRAB9APDPK1
SCHEMBL3790472 0.75 RET (0.46) PRKAA1NPC1POLBRAB9APDPK1
SCHEMBL18666487 0.75 CYP2A6 (0.47) TDO2MAP3K11PRKAG1PRKAA1PRKAB1
SCHEMBL585871 0.75 PLK4 (0.54) TTKTDO2TGFBR1FGFR1FGFR2
SCHEMBL3721742 0.74 TTK (0.72) TTKMAP2K4PDPK1HSP90AB1MAPK1
SCHEMBL3711726 0.74 TTK (1.00) TTKMAP2K4MAP2K7AXL
SCHEMBL3709994 0.73 TTK (0.70) TTKMAP2K4PDPK1HSP90AB1MAPK1
SCHEMBL3711976 0.72 TTK (0.58) TTKMAP2K4
SCHEMBL3717265 0.72 TTK (0.52) TTKFGFR1FGFR2FGFR3AXL

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-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

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 421/4885TDO2 301/4885MAP3K11 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.