SCHEMBL17846131

SCHEMBL17846131

CCn1ncc2cc(Cl)nc(OCCCCC(NC(=O)OC(C)(C)C)c3ccccc3)c21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.49
MAPT P10636 1/20 0.39
CTSK P43235 3/20 0.37
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
S1PR3 Q99500 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CTSS P25774 1/20 0.34

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
SCHEMBL17845997 0.91 MAPK1 (0.53) MAPK1
SCHEMBL17846165 0.89 MAPK1 (0.51) MAPK1
SCHEMBL17846098 0.86 MAPT (0.42) MAPK1MAPTCTSK
SCHEMBL17846031 0.85 MAPK1 (0.50) MAPK1MAPTCTSKS1PR3CTSS
SCHEMBL17844851 0.80 MAPK1 (0.42) MAPK1CTSK
SCHEMBL19348976 0.80 MAPK1 (0.42) MAPK1CTSK
SCHEMBL17846042 0.79 MAPK1 (0.47) MAPK1
SCHEMBL19349003 0.79 MAPK1 (0.43) MAPK1MAPTCTSKS1PR3CTSS
SCHEMBL19349001 0.79 MAPK1 (0.43) MAPK1MAPTCTSKS1PR3CTSS
SCHEMBL17846060 0.79 MAPK1 (0.52) 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 1/4885MAPT 4135/4885CTSK 2212/4885

“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.