SCHEMBL16740934

SCHEMBL16740934

Cc1[nH]c(=O)c(C#N)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ GAA P10253 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ GLA P06280 6/20 0.49
▸ HPGD P15428 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ATM Q13315 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ BIRC5 O15392 2/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ KIF11 P52732 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ DAO P14920 1/20 0.40

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
SCHEMBL18135122 0.80 KDM4E (0.48) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL15665313 0.72 KMT2A (0.57) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL22866493 0.67 KDM4E (0.38) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL16740891 0.67 KDM4E (0.43) KDM4EDHODH
SCHEMBL29559825 0.67 KDM4E (0.38) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL13280215 0.66 KDM4E (0.49) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL562812 0.66 KDM4E (1.00) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL23885743 0.66 KIF11 (0.55) MAPTKIF11
SCHEMBL30054111 0.66 PLA2G1B (0.54) KDM4EKIF11KMT2AMEN1
SCHEMBL23885645 0.66 PLA2G1B (0.54) KDM4EKIF11KMT2AMEN1

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-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — WO disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 KDM4E 24/4885GAA 2686/4885ALDH1A1 2301/4885

“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.

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