SCHEMBL10309643

SCHEMBL10309643

COc1ccc2cc(C(=O)CC(C#N)c3cc(C(F)(F)F)ccc3F)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KDM4E B2RXH2 2/20 0.40
FFAR1 O14842 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
KDR P35968 2/20 0.39
EPHX2 P34913 2/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38

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
SCHEMBL10309632 0.75 KMT2A (0.55) KMT2AALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL10309640 0.75 KMT2A (0.55) KMT2AALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL16488408 0.75 KMT2A (0.55) KMT2AALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL10309484 0.71 MGAM (0.36) ALDH1A1HPGDKDM4EFFAR1CYP2C9
SCHEMBL10309646 0.70 CYP1A1 (0.63) KMT2ACYP1A1CYP1B1MAOBMAPT
SCHEMBL10856289 0.69 PTGDR2 (0.41) KMT2ACYP1A2HPGDCYP2C19KDM4E
SCHEMBL1857883 0.68 CYP1A2 (0.61) KMT2AALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL15413859 0.67 CYP1A2 (0.54) CYP1A2PLGPLAUPLATKDM4E
SCHEMBL13385707 0.67 ALDH1A1 (0.50) KMT2AALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL623518 0.66 KMT2A (0.43) KMT2AALDH1A1KCNH2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480077-B1 PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME (US) 2015-02-18 EP disclosed
US-20120178789-A1 NOVEL PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011037815-A1 NOVEL PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-03-31 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-20120178789-A1 NOVEL PYRROLIDINES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GIPR, GCGR KMT2A 3852/4885ALDH1A1 3276/4885CYP1A2 766/4885

“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.