SCHEMBL14656366

SCHEMBL14656366

COc1cc(-n2nc(C(C)(C)C)cc2N)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.42
MAPK12 P53778 4/20 0.41
MAPK14 Q16539 4/20 0.41
SRC P12931 2/20 0.41
HCK P08631 1/20 0.41
RIPK2 O43353 1/20 0.40
LMNA P02545 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CDK8 P49336 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK11 Q15759 3/20 0.35
FGFR1 P11362 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3175373 0.89 LMNA (0.39) PTGS2MAPK12MAPK14SRCHCK
SCHEMBL14688241 0.84 RIPK2 (0.44) PTGS2RIPK2LMNACDK8CA1
SCHEMBL3185297 0.83 MAPK14 (0.42) PTGS2MAPK12MAPK14RIPK2CDK8
SCHEMBL14656416 0.82 RIPK2 (0.35) PTGS2MAPK12MAPK14SRCHCK
SCHEMBL2578433 0.82 TRPV1 (0.43) PTGS2MAPK14SRCCDK8MAPK11
SCHEMBL13532214 0.82 MEN1 (0.46) PTGS2MAPK12MAPK14RIPK2LMNA
SCHEMBL14687665 0.82 RIPK2 (0.34) PTGS2MAPK12MAPK14SRCHCK
SCHEMBL4486598 0.81 RIPK2 (0.39) PTGS2MAPK12MAPK14SRCHCK
Hydrochloric Acid SCHEMBL3179045 0.81 MEN1 (0.48) PTGS2MAPK12MAPK14RIPK2LMNA
SCHEMBL13296472 0.81 CDK8 (0.46) PTGS2MAPK12MAPK14RIPK2CDK8

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
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 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 (4 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R PTGS2 493/4885MAPK12 3555/4885MAPK14 4207/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 PTGS2 720/4885MAPK12 41/4885MAPK14 31/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R PTGS2 493/4885MAPK12 3555/4885MAPK14 4207/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 PTGS2 636/4885MAPK12 41/4885MAPK14 31/4885

“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.