SCHEMBL2371128

SCHEMBL2371128

CCN1CCN(Cc2ccc(NC(=O)c3cccc(I)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.64
▸ EPHA2 P29317 1/20 0.62
▸ BRAF P15056 2/20 0.62
▸ HTT P42858 3/20 0.61
▸ ATM Q13315 2/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ MAP3K7 O43318 1/20 0.60
▸ MAP4K2 Q12851 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CLK1 P49759 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ STK10 O94804 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ RET P07949 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ FLT1 P17948 1/20 0.58
▸ CDK11B P21127 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ FLT4 P35916 1/20 0.58

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
SCHEMBL589012 0.92 KIT (0.75) KITBRAFABL1RET
SCHEMBL1420613 0.89 CHRM4 (0.67) KITEPHA2BRAFHTTATM
SCHEMBL20568827 0.89 EPHA2 (0.63) KITEPHA2BRAFHTTATM
SCHEMBL1420251 0.88 EPHA2 (0.62) KITEPHA2BRAFHTTATM
SCHEMBL16236572 0.86 KIT (0.63) KITEPHA2BRAFHTTATM
SCHEMBL16236899 0.85 KIT (0.86) KITBRAFHTTATMKMT2A
SCHEMBL15688171 0.85 MKNK2 (0.64) KITHTTATMKMT2AABL1
SCHEMBL28054362 0.84 HTT (0.65) KITBRAFHTTATMKMT2A
SCHEMBL17182047 0.83 ABL1 (0.63) KITEPHA2BRAFHTTATM
SCHEMBL30309801 0.82 KIT (0.69) KITBRAFHTTATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 — — EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 — — US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 — — US disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 — — US disclosed
EP-2997030-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 — — EP disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 — — US disclosed
US-8987275-B2 Indazole compounds and their uses DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-03-24 — — US disclosed
US-8987275-B2 Indazole compounds and their uses DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-03-24 — — US disclosed
WO-2014184069-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-20 — — WO disclosed
US-20130184287-A1 INDAZOLE COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-07-18 — — US disclosed
US-20130184287-A1 INDAZOLE COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-07-18 — — US disclosed
EP-2547661-A2 INDAZOLE COMPOUNDS AND THEIR USES Dana-Farber Cancer Institute, Inc. (US) 2013-01-23 — — EP disclosed
WO-2011115725-A2 INDAZOLE COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-09-22 — — 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 (3 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-20130184287-A1 INDAZOLE COMPOUNDS AND THEIR USES OAT, CYP3A43, CYP11B2 KIT 1922/4885EPHA2 4170/4885BRAF 3191/4885
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 KIT 582/4885EPHA2 1160/4885BRAF 61/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 KIT 463/4885EPHA2 902/4885BRAF 31/4885

“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.

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