SCHEMBL19348982

SCHEMBL19348982

O=C(O)NC(COCC#Cc1nc(Cl)cc2cnn(C(F)F)c12)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.34
CACNA1F O60840 1/20 0.31
TACR1 P25103 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL19348984 0.90 CTSS (0.34) MAPK1
SCHEMBL19348986 0.90 CTSS (0.34) MAPK1
SCHEMBL17846089 0.84
SCHEMBL17846175 0.80 MAPK1 (0.36) MAPK1
SCHEMBL19348985 0.74 MAPK1 (0.31) MAPK1
SCHEMBL19348979 0.73 CACNA1F (0.34) MAPK1CACNA1FTACR1CACNA1DCACNA1S
SCHEMBL17846063 0.73 MAPK1 (0.36) MAPK1CACNA1FTACR1CACNA1DCACNA1S
SCHEMBL17846218 0.73 MAPK1 (0.36) MAPK1CACNA1FTACR1CACNA1DCACNA1S
SCHEMBL19348978 0.73 CACNA1F (0.34) MAPK1CACNA1FTACR1CACNA1DCACNA1S
SCHEMBL17846182 0.71 MAPK1 (0.35) 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 3 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
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 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 (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 1/4885CACNA1F 4780/4885TACR1 1773/4885

“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.