SCHEMBL1013569

SCHEMBL1013569

CC(C)(C(=O)CC#N)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.38
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL23982819 0.86 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19CTSS
SCHEMBL1011084 0.83
SCHEMBL3391018 0.82 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL1012319 0.81
SCHEMBL24410357 0.77 MCL1 (0.38) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL1014847 0.76 MCL1 (0.40) MCL1CYP1A2CYP3A4CYP2C19
SCHEMBL573401 0.75
SCHEMBL133731 0.75
SCHEMBL5463212 0.73 MCL1 (0.42) MCL1CYP1A2CYP2C19DPP4
SCHEMBL1583542 0.73 MCL1 (0.40) MCL1CYP1A2CYP3A4CYP2C19

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US claimed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US claimed
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 EP disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 US disclosed
EP-3774797-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF Merck Patent GmbH (DE) 2021-02-17 EP disclosed
CN-112236429-A Heteroaryl compounds as type II IRAK inhibitors and uses thereof 默克专利有限公司 2021-01-15 CN disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 CN disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
WO-2014141187-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 WO disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed
US-20140057915-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2014-02-27 US disclosed
WO-2014027209-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-02-20 WO disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (7 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF MCL1 291/4885CYP1A2 4571/4885CYP3A4 4662/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MCL1 1008/4885CYP1A2 4399/4885CYP3A4 4490/4885
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MCL1 550/4885CYP1A2 2638/4885CYP3A4 3106/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MCL1 291/4885CYP1A2 4571/4885CYP3A4 4662/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 MCL1 760/4885CYP1A2 1624/4885CYP3A4 1946/4885
US-20140057915-A1 KINASE INHIBITORS SYK, BTK, LYN MCL1 1650/4885CYP1A2 2533/4885CYP3A4 3062/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MCL1 291/4885CYP1A2 4571/4885CYP3A4 4662/4885

“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.