SCHEMBL17846101

SCHEMBL17846101

CCn1ncc2cc(Cl)nc(CCCOC(C)(C)C(=O)c3ccccc3)c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.38
SLC16A3 O15427 11/20 0.36
SLC16A1 P53985 11/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17846205 0.79 NPC1 (0.39) MAPK1SLC16A3SLC16A1NPC1HPGD
SCHEMBL17846203 0.79 NPC1 (0.39) MAPK1SLC16A3SLC16A1NPC1HPGD
SCHEMBL21219030 0.76 MAPK1 (0.43) MAPK1
SCHEMBL11083344 0.69 TDP1 (0.48) MAPK1PPARGPPARDPPARA
SCHEMBL10384825 0.68 LMNA (0.46) MAPK1PPARA
SCHEMBL14514224 0.66 LMNA (0.55)
SCHEMBL13139619 0.66 CES1 (0.37) PPARGPPARDPPARANPC1HPGD
SCHEMBL14819980 0.66 LMNA (0.38) MAPK1PPARGPPARDPPARA
SCHEMBL11083343 0.66 CES1 (0.47) MAPK1PPARAHPGDSMN1; SMN2
SCHEMBL15381998 0.66 TSHR (0.47) 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 1/4885SLC16A3 2307/4885SLC16A1 1560/4885

“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.