SCHEMBL791422

SCHEMBL791422

COC(=O)C1CCC(=O)C(C(=O)c2ccncc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
LATS1 O95835 1/20 0.39
KDM4E B2RXH2 4/20 0.36
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1651765 0.79 TLR4 (0.40) SMN1; SMN2
SCHEMBL9813079 0.78 PDE3B (0.40) MMP2ANPEP
SCHEMBL1651768 0.76 TLR4 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL14630636 0.75 TLR4 (0.37) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7272419 0.71 PDE3B (0.44) MAPK1MCL1MAPTALDH1A1
SCHEMBL7922437 0.70 MCL1 (0.70) MAPK1KDM4EGAASMN1; SMN2MCL1
SCHEMBL9878558 0.68 KDM4E (0.42) KDM4EGAAKMT2AMAPTTSHR
SCHEMBL21513698 0.68 LATS1 (0.46) MMP2ANPEPLATS1KDM4EKMT2A
SCHEMBL21729823 0.68 BRD4 (0.39) KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL3578884 0.68 BRD4 (0.39) SMN1; SMN2KMT2AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP 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-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
EP-2615916-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-24 EP 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
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO 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 MAPK1 1/4885MMP2 2380/4885ANPEP 3090/4885

“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.