SCHEMBL17846189

SCHEMBL17846189

Cn1ncc2cc(Cl)nc(CNC(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
P2RX7 Q99572 3/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR2 O95136 4/20 0.35
NOTUM Q6P988 1/20 0.34
MAPKAPK2 P49137 4/20 0.33
NR3C1 P04150 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
SCHEMBL17848036 0.82 MAPK1 (0.39) MAPK1P2RX7S1PR2
SCHEMBL17848004 0.78 MAPK1 (0.39) MAPK1P2RX7S1PR2
SCHEMBL17844744 0.78 MAPK1 (0.44) MAPK1S1PR2NOTUM
SCHEMBL21535625 0.76 MAPK1 (0.35) MAPK1S1PR2
SCHEMBL17848017 0.76 MAPK1 (0.36) MAPK1S1PR2NOTUM
SCHEMBL17846050 0.75 MAPK1 (0.32) MAPK1
SCHEMBL17846227 0.74 MAPK1 (0.44) MAPK1S1PR2
SCHEMBL17846228 0.72 MAPK1 (0.44) MAPK1
SCHEMBL17846219 0.71 MAPK1 (0.45) MAPK1
SCHEMBL17846030 0.70 MAPK1 (0.31) 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 1/4885P2RX7 3120/4885LMNA 4519/4885

“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.