SCHEMBL23914846

SCHEMBL23914846

COCCOc1cc(N)c(N)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
SRC P12931 5/20 0.38
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
FGFR4 P22455 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL13862086 0.87 AR (0.44) ARALDH1A1KDM4EUSP2SRC
SCHEMBL482053 0.86 AR (0.42) ARALDH1A1KDM4EUSP2SRC
SCHEMBL6431488 0.83 KDM4E (0.56) ARALDH1A1KDM4EUSP2SRC
SCHEMBL15364623 0.82 AR (0.45) ARALDH1A1KDM4EUSP2SRC
SCHEMBL20866202 0.82 SRC (0.46) ARALDH1A1KDM4EUSP2SRC
SCHEMBL15365210 0.82 AR (0.45) ARALDH1A1KDM4EUSP2SRC
SCHEMBL5652331 0.82 SRC (0.46) ARALDH1A1KDM4EUSP2SRC
SCHEMBL15365341 0.82 AR (0.45) ARALDH1A1KDM4EUSP2SRC
SCHEMBL14540927 0.81 AR (0.38) ARALDH1A1KDM4EUSP2SRC
SCHEMBL23914981 0.81 MAPT (0.48) ARALDH1A1HPGD

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 AR 890/4885ALDH1A1 944/4885KDM4E 3835/4885

“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.