SCHEMBL1741121

SCHEMBL1741121

COc1ccc(Nc2ncc(F)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)cc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.57
ULK1 O75385 1/20 0.49
ULK2 Q8IYT8 1/20 0.49
BCL6 P41182 3/20 0.47
ALK Q9UM73 8/20 0.45
EGFR P00533 3/20 0.43
ITK Q08881 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
BRD4 O60885 2/20 0.41

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
SCHEMBL3496207 0.95 PRKCQ (0.55) PRKCQULK1ULK2BCL6ALK
SCHEMBL3494008 0.93 PRKCQ (0.57) PRKCQULK1ULK2BCL6ALK
SCHEMBL3494648 0.93 PRKCQ (0.61) PRKCQULK1ULK2BCL6ALK
SCHEMBL1742536 0.91 PRKCQ (0.51) PRKCQULK1ULK2BCL6ALK
SCHEMBL3496408 0.90 BRD4 (0.51) PRKCQULK1ULK2BCL6ALK
SCHEMBL1740953 0.89 PRKCQ (0.51) PRKCQULK1ULK2BCL6ALK
SCHEMBL3495061 0.89 PRKCQ (0.61) PRKCQULK1ULK2BCL6ALK
SCHEMBL3496821 0.89 ULK1 (0.66) PRKCQULK1ULK2BRD4
SCHEMBL3495546 0.89 ULK1 (0.50) PRKCQULK1ULK2BCL6ALK
SCHEMBL3496203 0.89 PRKCQ (0.57) PRKCQULK1ULK2BCL6ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP claimed
CN-101405277-A Dicarbonylic compounds with antibacterial activity SALVAT LAB SA (ES) 2009-04-08 CN claimed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO claimed
US-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20180370956-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-12-27 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2917206-B1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
EP-2917206-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2015-09-16 EP disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS MIDCAP FINANCIAL TRUST 2010-07-15 US disclosed
EP-2183225-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
CN-100572379-C Cgrp receptor antagonists MERCK & CO INC (US) 2009-12-23 CN disclosed
CN-101405277-A Dicarbonylic compounds with antibacterial activity SALVAT LAB SA (ES) 2009-04-08 CN disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO disclosed
CN-101035764-A 4-trifluoromethoxy phenoxy benzene-4' -sulfonic acid, preparation method and application thereof in medicine SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-12 CN disclosed
CN-1802369-A CGRP receptor antagonists MERCK & CO INC (US) 2006-07-12 CN disclosed
US-6248918-B1 BIS(DIHYDROCARBYLPHOSPHINOYLALKYL)-1,1'-BINAPHTHOL) AND RARE EARTH OR GROUP 3A METAL SALTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-10544133-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 PRKCQ 861/4885ULK1 570/4885ULK2 483/4885
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 PRKCQ 974/4885ULK1 669/4885ULK2 554/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 PRKCQ 861/4885ULK1 570/4885ULK2 483/4885
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R PRKCQ 3232/4885ULK1 1807/4885ULK2 891/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS PRKCQ 2586/4885ULK1 2303/4885ULK2 2252/4885
US-20180370956-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 PRKCQ 861/4885ULK1 570/4885ULK2 483/4885
US-20170210730-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 PRKCQ 861/4885ULK1 570/4885ULK2 483/4885

“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.