SCHEMBL15065253

SCHEMBL15065253

O=C(Cc1ccccc1F)N1CCc2[nH]nc(-c3ccncc3)c2C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
CREBBP Q92793 1/20 0.60
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
MAPK1 P28482 2/20 0.53
GNRHR P30968 1/20 0.49
P2RX7 Q99572 1/20 0.46

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
SCHEMBL10212328 0.88 BRD4 (0.60) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL807436 0.88 BRD4 (0.60) BRD4CREBBPMAPK1GNRHRP2RX7
SCHEMBL807569 0.88 BRD4 (0.62) BRD4CREBBPMAPK1
SCHEMBL15082126 0.87 BRD4 (0.57) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL807239 0.87 BRD4 (0.64) BRD4CREBBPMAPK1
SCHEMBL807435 0.85 BRD4 (0.59) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL15065745 0.85 P2RX7 (0.54) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL807221 0.85 BRD4 (0.58) BRD4CREBBPMAPK1P2RX7
SCHEMBL807242 0.84 BRD4 (0.57) BRD4CREBBPDPP4DPP8DPP9
SCHEMBL807232 0.83 BRD4 (0.67) BRD4CREBBPMAPK1P2RX7

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 6 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-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
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 BRD4 845/4885CREBBP 183/4885DPP4 2540/4885

“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.