SCHEMBL9906368

SCHEMBL9906368

CC(C)c1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.51
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 4/20 0.47
MAPK11 Q15759 4/20 0.47
GAA P10253 1/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MAPK9 P45984 1/20 0.39
DDR2 Q16832 1/20 0.39
JAK2 O60674 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL9909706 0.87 CDK8 (0.50) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL9906366 0.85 GRN (0.58) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL12789821 0.84 GRN (0.43) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL25510561 0.84 TRPV1 (0.47) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL12789824 0.83 MAPK14 (0.49) PRKCZMAPK14MAPK13MAPK12MAPK11
SCHEMBL9906367 0.82 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL9906369 0.81 CNR2 (0.44) PRKCZ
SCHEMBL17051085 0.79 POLB (0.57) GAAPTGS2CYP1A2CYP2C19NPSR1
SCHEMBL12298697 0.79 PRKCZ (0.55) PRKCZMAPK14MAPK13MAPK12MAPK11
SCHEMBL14314274 0.79 PRKCZ (0.55) PRKCZMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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 (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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PRKCZ 1832/4885MAPK14 2013/4885MAPK13 2398/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PRKCZ 1832/4885MAPK14 2013/4885MAPK13 2398/4885

“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.