SCHEMBL807234

SCHEMBL807234

CC(C(=O)N1CCc2[nH]nc(-c3ccncc3)c2C1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.55
BRD4 O60885 1/20 0.53
CREBBP Q92793 1/20 0.53
MAPK1 P28482 2/20 0.48
MAPK3 P27361 1/20 0.44
MET P08581 3/20 0.44

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
SCHEMBL807229 0.86 BRD4 (0.59) P2RX7BRD4CREBBPMAPK1
SCHEMBL15084429 0.80 BRD4 (0.48) P2RX7BRD4CREBBPMAPK1
SCHEMBL807436 0.78 BRD4 (0.60) P2RX7BRD4CREBBPMAPK1MET
SCHEMBL10801839 0.78 MAPK1 (0.76) P2RX7BRD4CREBBPMAPK1
SCHEMBL15064815 0.77 BRD4 (0.58) P2RX7BRD4CREBBPMAPK1
SCHEMBL17877244 0.77 BRD4 (0.58) P2RX7BRD4CREBBPMAPK1MET
SCHEMBL807352 0.76 MAPK1 (0.58) P2RX7BRD4CREBBPMAPK1
SCHEMBL10210906 0.75 MAPK1 (0.58) BRD4CREBBPMAPK1
SCHEMBL15065745 0.74 P2RX7 (0.54) P2RX7BRD4CREBBPMAPK1MET
SCHEMBL23841127 0.73 BRD4 (0.63) P2RX7BRD4CREBBPMAPK1

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
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 P2RX7 2924/4885BRD4 845/4885CREBBP 183/4885

“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.