SCHEMBL9906367

SCHEMBL9906367

COc1ccc(-n2nc(C(C)(C)C)cc2C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
PTGS2 P35354 7/20 0.48
PTGS1 P23219 5/20 0.48
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
GRN P28799 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
SCHEMBL12789816 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL9909706 0.84 CDK8 (0.50) MAPK14MAPK13MAPK12MAPK11CYP2C9
SCHEMBL9906366 0.83 GRN (0.58) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL9906368 0.82 PRKCZ (0.51) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL12789821 0.82 GRN (0.43) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL17166010 0.81 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL9909704 0.81 PTK2B (0.41) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL11376817 0.80 CNR1 (0.53) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL12789824 0.80 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL15887795 0.80 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTGS2

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-8383816-B2 Aryl-quinolyl compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-26 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-20110053946-A1 Aryl-Quinolyl Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-03-03 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 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 (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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MAPK14 2013/4885MAPK13 2398/4885MAPK12 1250/4885
US-20110053946-A1 Aryl-Quinolyl Compounds and Their Use BRAF, NRAS, ARAF MAPK14 338/4885MAPK13 188/4885MAPK12 90/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MAPK14 2013/4885MAPK13 2398/4885MAPK12 1250/4885

“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.