SCHEMBL2688846

SCHEMBL2688846

COCCOc1ccc(N)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.40
DYRK1A Q13627 1/20 0.40
SYK P43405 1/20 0.40
CHEK2 O96017 1/20 0.39
KDR P35968 2/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
BRD4 O60885 1/20 0.39
CCL2 P13500 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPK14 Q16539 1/20 0.38
PDE2A O00408 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL31552396 0.91 ALDH1A1 (0.48) ALDH1A1CASP1CASP7HSD17B10MEN1
SCHEMBL9226702 0.86 SYK (0.43) ALDH1A1CASP1CASP7HSD17B10MAOA
SCHEMBL28767196 0.84 MAPT (0.51) ALDH1A1CASP1CASP7HSD17B10MEN1
SCHEMBL18361759 0.84 TSHR (0.49) ALDH1A1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL1000566 0.84 ALDH1A1 (0.42) ALDH1A1MEN1NPC1KMT2AAPOBEC3G
SCHEMBL2923291 0.83 KDR (0.44) MAOADYRK1ASYKKDRFGFR1
SCHEMBL22171125 0.83 TAAR1 (0.47) ALDH1A1FGFR1MEN1NPC1KMT2A
SCHEMBL5960246 0.83 NR4A1 (0.50) ALDH1A1CASP1CASP7HSD17B10MAOA
SCHEMBL8251459 0.81 MRGPRX4 (0.46) MAOADYRK1ASYKKDRFGFR1
SCHEMBL15435163 0.81 TSHR (0.54) HSD17B10MEN1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
EP-2295047-A2 Use of adenosine A2a receptor antagonists for the treatment of restless leg syndrome and other movement disorders Schering Corporation (US) 2011-03-16 EP disclosed
EP-2269596-A2 Use of adenosine A2a receptor antagonists for the treatment of extrapyramidal syndrome and other movement disorders Schering Corporation (US) 2011-01-05 EP disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
EP-1911756-A2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
WO-2007038212-A1 ADENOSINE A2a RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION (US) 2007-04-05 WO disclosed
EP-1453836-B1 BICYCLIC [1,2,4] -TRIAZOLE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-03-28 EP disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 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 (4 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO ALDH1A1 269/4885CASP1 2306/4885CASP7 4205/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK ALDH1A1 238/4885CASP1 2908/4885CASP7 4143/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS ALDH1A1 342/4885CASP1 2280/4885CASP7 4162/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 ALDH1A1 3801/4885CASP1 3743/4885CASP7 3077/4885

“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.