SCHEMBL6077636

SCHEMBL6077636

CN(C)CCn1ncc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
MAPK14 Q16539 10/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
CSNK1D P48730 2/20 0.44
CSNK1E P49674 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE10A Q9Y233 1/20 0.43
KDR P35968 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GCGR P47871 1/20 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
SCHEMBL6076416 0.85 MAPK14 (0.51) S1PR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1647324 0.80 S1PR1 (0.60) S1PR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5851911 0.79 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6078034 0.78 MAPK14 (0.58) S1PR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5451477 0.77 MAPK14 (0.47) S1PR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL1647835 0.75 PTGS1 (0.54) S1PR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5850091 0.74 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL3274468 0.74 PDE10A (0.61) PDE4APDE4BPDE10A
SCHEMBL30123229 0.74 PDE10A (0.61) PDE4APDE4BPDE10A
SCHEMBL5450353 0.73 CSNK1D (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019005-B2 3 (5)-heteroaryl substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2006-03-28 US disclosed
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6579873-B2 Treatment of inflammation, arthritis, bone disorders, respiratory system disorders PHARMACIA CORPORATION 2003-06-17 US disclosed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US disclosed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US disclosed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP disclosed
US-5932576-A USEFUL FOR TREATING P38 KINASE MEDIATED DISORDERS SUCH AS ATHEROSCLEROSIS, RHEUMATIOD ARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHERS G. D. SEARLE & COMPANY (US) 1999-08-03 US disclosed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 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 (2 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-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 S1PR1 205/4885MAPK14 26/4885MAPK13 28/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 S1PR1 205/4885MAPK14 26/4885MAPK13 28/4885

“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.