SCHEMBL23914596

SCHEMBL23914596

CC(F)(F)COc1cc(N)c(N)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AAK1 Q2M2I8 11/20 0.39
MBOAT4 Q96T53 2/20 0.38
AR P10275 1/20 0.35
QPCT Q16769 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
SCHEMBL23966539 0.87 ALDH1A1 (0.55) KDM4EUSP2ALDH1A1MEN1HSP90AA1
SCHEMBL23914639 0.82 ALDH1A1 (0.37) ALDH1A1MAPTAAK1MBOAT4QPCT
SCHEMBL23915464 0.78 ALDH1A1 (0.44) KDM4EUSP2ALDH1A1MEN1MAPT
SCHEMBL23862114 0.77 AAK1 (0.37) AAK1MBOAT4ARQPCT
SCHEMBL16071292 0.75 AAK1 (0.53) AAK1ARQPCT
SCHEMBL23915318 0.75 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1MEN1HSP90AA1
SCHEMBL22900437 0.74 AAK1 (0.39) AAK1MBOAT4ARQPCT
SCHEMBL23909016 0.73 MBOAT4 (0.36) KDM4EUSP2ALDH1A1AAK1MBOAT4
SCHEMBL23914846 0.73 AR (0.45) KDM4EUSP2ALDH1A1AR
SCHEMBL16071293 0.72 AAK1 (0.38) AAK1ARQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 KDM4E 3835/4885USP2 4521/4885ALDH1A1 944/4885

“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.