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SCHEMBL4672209

SCHEMBL4672209

CC(C)(C)OC(=O)N(c1cccc(Cl)c1)c1cncc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ MT-CO2 P00403 1/20 0.36
▸ TAAR1 Q96RJ0 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ PTGIR P43119 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ XPO1 O14980 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
SCHEMBL2890838 0.85 MT-CO2 (0.49) RXRARORCMT-CO2GAAKMT2A
SCHEMBL14018423 0.84 BRAF (0.41) GRM5KMT2AS1PR3
SCHEMBL14018424 0.82 MRGPRX4 (0.39) RORCMT-CO2NPC1ALDH1A1MAPT
SCHEMBL14017847 0.82 CNR1 (0.40) RXRARXRBRXRGRORCMT-CO2
SCHEMBL14017799 0.82 KDR (0.45) GRM5
SCHEMBL14018391 0.82 KDR (0.41) RORCXPO1CSNK2A2CSNK2B
SCHEMBL14017771 0.81 CDK1 (0.40) RORCS1PR3
SCHEMBL14017649 0.80 CDK1 (0.40) KMT2AS1PR3
SCHEMBL14018431 0.79 CNR2 (0.38) ALDH1A1GRM5
SCHEMBL6286764 0.79 RIPK1 (0.42) MAPTGRM5CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 — — EP disclosed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 — — EP disclosed
US-6710048-B2 SELECTIVE INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE; TO TREAT SOLID-TUMOR CANCERS, ANGIOGENESIS, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, ENDOMETRIOSIS AND PSORIASIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-23 — — US disclosed
EP-1330452-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 — — EP disclosed
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 — — US disclosed
WO-2002024681-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 — — 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 (1 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-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases FLT1, FLT4, KDR RXRA 1561/4885RXRB 1529/4885RXRG 1596/4885

“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.