SCHEMBL3252437

SCHEMBL3252437

COc1c(Cl)ncnc1OC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
TGFBR1 P36897 2/20 0.36
ACVR1B P36896 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH1 P35367 1/20 0.36
JAK3 P52333 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRM1 P11229 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33

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
Hydrochloric Acid SCHEMBL3249196 0.99 EGFR (0.36) EGFRTGFBR1ACVR1BACVR1KCNH2
SCHEMBL12261634 0.82 ACVR1B (0.36) EGFRTGFBR1ACVR1BACVR1KCNH2
SCHEMBL1291525 0.82 HRH1 (0.38) HRH1JAK3CHRM1
SCHEMBL12281328 0.80 ACACB (0.36) EGFRKCNH2IRAK4
SCHEMBL288499 0.76 GPR119 (0.41) KCNH2
SCHEMBL12236467 0.76 HRH1 (0.43) HRH1JAK3SLC6A4HTR1ASLC6A2
SCHEMBL12275864 0.75 SLC6A4 (0.33) SLC6A4SLC6A2IRAK4
SCHEMBL20375400 0.75 GPR119 (0.41) KCNH2
SCHEMBL9044468 0.73 ALDH1A1 (0.39) EGFR
SCHEMBL13357777 0.72 GPR119 (0.48) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382203-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2015-01-14 EP disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
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-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 US disclosed
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP disclosed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 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
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 EGFR 4871/4885TGFBR1 4063/4885ACVR1B 4190/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK EGFR 4135/4885TGFBR1 4004/4885ACVR1B 3199/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS EGFR 4749/4885TGFBR1 3937/4885ACVR1B 3565/4885
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES GPR119, GCGR, GPR65 EGFR 2714/4885TGFBR1 1186/4885ACVR1B 1755/4885

“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.