SCHEMBL3659445

SCHEMBL3659445

O=CNc1cccc2c1NC(=O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.53
PDK2 Q15119 1/20 0.42
NEK2 P51955 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
GRM5 P41594 1/20 0.40
TDP2 O95551 4/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
MAP3K14 Q99558 1/20 0.40
EIF2AK2 P19525 1/20 0.33
TSHR P16473 1/20 0.33
PABPC1 P11940 1/20 0.33
PGR P06401 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
CMA1 P23946 2/20 0.31
GLO1 Q04760 1/20 0.31

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
SCHEMBL30089215 0.75 AHR (0.51) AHRPDK2NEK2SMYD3GRM5
SCHEMBL5638376 0.75 AHR (0.51) AHRPDK2NEK2SMYD3GRM5
SCHEMBL3659895 0.74 AHR (0.50) AHRPDK2NEK2SMYD3GRM5
SCHEMBL153163 0.74 HDAC3 (0.34) AHRTDP2GRIA1CACNG8
SCHEMBL12572162 0.74 AHR (0.58) AHRPDK2NEK2SMYD3GRM5
SCHEMBL5639065 0.73 AHR (0.66) AHRPDK2NEK2SMYD3GRM5
SCHEMBL5637987 0.72 AHR (0.55) AHRPDK2NEK2SMYD3GRM5
SCHEMBL28214678 0.71 SRC (0.38) TSHRPABPC1
SCHEMBL394638 0.70 AHR (0.45) AHRPDK2NEK2SMYD3GRM5
SCHEMBL19753764 0.69 TDP2 (0.62) AHRPDK2NEK2SMYD3GRM5

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 AHR 889/4885PDK2 722/4885NEK2 412/4885

“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.