SCHEMBL17846102

SCHEMBL17846102

CN(C/C=C/c1nc(Cl)cc2cnn(C)c12)CC(NC(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.39
TRPV1 Q8NER1 1/20 0.34
TACR3 P29371 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17846103 1.00 MAPK1 (0.39) MAPK1TRPV1TACR3ROCK2ROCK1
SCHEMBL17846193 0.90 MAPK1 (0.41) MAPK1TRPV1
SCHEMBL17846194 0.90 MAPK1 (0.41) MAPK1TRPV1
SCHEMBL17845990 0.85 MAPK1 (0.40) MAPK1TACR3ALDH1A1
SCHEMBL17845988 0.85 MAPK1 (0.40) MAPK1TACR3ALDH1A1
SCHEMBL17846192 0.84 MAPK1 (0.43) MAPK1
SCHEMBL17846191 0.84 MAPK1 (0.43) MAPK1
SCHEMBL19348975 0.75 UTS2R (0.41) MAPK1
SCHEMBL17846183 0.73 MAPK1 (0.42) MAPK1
SCHEMBL17846185 0.73 MAPK1 (0.42) MAPK1

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
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (1 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 MAPK1 1/4885TRPV1 3783/4885TACR3 3030/4885

“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.