SCHEMBL7112019

SCHEMBL7112019

CC(=O)Nc1cc(C(C)(C)C)nn1C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.63
MAPT P10636 2/20 0.60
LMNA P02545 2/20 0.60
MAPK13 O15264 2/20 0.58
MAPK11 Q15759 2/20 0.58
MAPK12 P53778 1/20 0.58
KDM4E B2RXH2 1/20 0.54
GRN P28799 1/20 0.54
SORT1 Q99523 1/20 0.54
CNR2 P34972 1/20 0.53
RAF1 P04049 1/20 0.51
ERBB2 P04626 1/20 0.51

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
SCHEMBL1699062 0.87 MAPK14 (0.61) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL31034603 0.84 CDK8 (0.62) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL9892358 0.84 CNR2 (0.59) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL1465671 0.84 MAPK14 (0.62) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL13170034 0.84 MAPK14 (0.48) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL9891930 0.81 MAPK14 (0.56) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4139014 0.81 CNR2 (0.56) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL1620947 0.80 CNR2 (0.52) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4419244 0.80 MAPK14 (0.51) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL669330 0.79 MAPK14 (1.00) MAPK14MAPTMAPK13MAPK11MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US disclosed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US disclosed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US disclosed
US-6338741-B1 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2002-01-15 US disclosed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 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 (3 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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 MAPK14 660/4885MAPT 186/4885LMNA 802/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 MAPK14 660/4885MAPT 186/4885LMNA 802/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK14 1949/4885MAPT 4057/4885LMNA 4696/4885

“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.