SCHEMBL17846202

SCHEMBL17846202

N[C@H](COCC=Cc1nc(Cl)cc2cnn(C(F)F)c12)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.36
SCN4A P35499 7/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 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
SCHEMBL17846199 1.00 TACR1 (0.36) TACR1SCN4ACACNA1FCACNA1DCACNA1S
SCHEMBL19348978 0.85 CACNA1F (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL17846210 0.80 S1PR3 (0.34)
SCHEMBL17846211 0.80 S1PR3 (0.34)
SCHEMBL17846044 0.78 TACR1 (0.36) TACR1SCN4ACACNA1FCACNA1DCACNA1S
SCHEMBL21219026 0.78 TACR1 (0.36) TACR1SCN4ACACNA1FCACNA1DCACNA1S
SCHEMBL17846212 0.73 MAPK1 (0.31)
SCHEMBL17846183 0.71 MAPK1 (0.42)
SCHEMBL17846171 0.70 MAPK1 (0.39)
SCHEMBL17846173 0.70 MAPK1 (0.39)

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 TACR1 1773/4885SCN4A 3866/4885CACNA1F 4780/4885

“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.