SCHEMBL3561769

SCHEMBL3561769

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.76
BRAF P15056 9/20 0.71
EGFR P00533 7/20 0.71
CSF1R P07333 2/20 0.65
ABL1 P00519 2/20 0.64

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
SCHEMBL4254627 0.96 KIT (0.79) KITBRAFEGFRABL1
SCHEMBL2226481 0.92 HTT (0.68) KITBRAFEGFR
SCHEMBL17537391 0.91 KIT (0.80) KITBRAFEGFRCSF1RABL1
SCHEMBL27671596 0.90 KIT (0.68) KITBRAFEGFRCSF1RABL1
SCHEMBL4250568 0.90 KIT (0.61) KITBRAFEGFRABL1
SCHEMBL4249619 0.90 KIT (0.63) KITBRAFEGFRCSF1RABL1
SCHEMBL24737192 0.89 KIT (0.78) KITBRAFEGFRCSF1RABL1
SCHEMBL21943581 0.89 KIT (0.78) KITBRAFEGFRCSF1RABL1
SCHEMBL12871531 0.89 KIT (0.84) KITBRAFEGFRABL1
SCHEMBL17313595 0.89 KIT (0.74) KITBRAFEGFRCSF1RABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
EP-3536323-A1 USES OF SALT-INDUCIBLE KINASE (SIK) INHIBITORS Dana Farber Cancer Institute, Inc. (US) 2019-09-11 EP disclosed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
EP-2938614-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
WO-2014102377-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2014102377-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP 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 (5 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 KIT 836/4885BRAF 74/4885EGFR 1148/4885
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 KIT 74/4885BRAF 42/4885EGFR 34/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A KIT 495/4885BRAF 65/4885EGFR 1058/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR KIT 1217/4885BRAF 114/4885EGFR 66/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A KIT 495/4885BRAF 65/4885EGFR 1058/4885

“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.