SCHEMBL19348987

SCHEMBL19348987

Cn1ncc2cc(Cl)nc(COC(=O)NCCCC(NC(N)=O)c3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.41
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
C3AR1 Q16581 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
STING1 Q86WV6 3/20 0.34
GHSR Q92847 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL17846135 0.88 MAPK1 (0.42) MAPK1THRB
SCHEMBL17846079 0.87 MAPK1 (0.42) MAPK1THRBC3AR1
SCHEMBL17846005 0.85 MAPK1 (0.44) MAPK1THRB
SCHEMBL17846064 0.83 MAPK1 (0.42) MAPK1THRB
SCHEMBL17846145 0.81 MAPK1 (0.43) MAPK1THRB
SCHEMBL17846190 0.81 MAPK1 (0.43) MAPK1
SCHEMBL17846227 0.80 MAPK1 (0.44) MAPK1
SCHEMBL17846219 0.78 MAPK1 (0.45) MAPK1
SCHEMBL17846206 0.77 MAPK1 (0.42) MAPK1MAPT
SCHEMBL19350261 0.77 MAPK1 (0.42) MAPK1MAPT

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 1/4885THRB 1667/4885MAPT 4135/4885

“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.