SCHEMBL23915464

SCHEMBL23915464

CCOc1cc(N)c(N)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 5/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 3/20 0.42
AR P10275 2/20 0.41
ALOX15 P16050 3/20 0.41
BRCA1 P38398 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL9862178 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL23948615 0.87 MEN1 (0.41) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL19554285 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MEN1MAPT
Acetoacetic Acid SCHEMBL27837206 0.84 XDH (0.41) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1940230 0.81 KDM4E (0.56) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL19554261 0.81 XDH (0.46) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL23914846 0.80 AR (0.45) ALDH1A1KDM4EHPGDUSP2AR
SCHEMBL23915453 0.80 MAPT (0.51) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL8503295 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10MEN1MAPT
SCHEMBL19554334 0.78 KDM4E (0.53) ALDH1A1KDM4EHSD17B10MEN1MAPT

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 ALDH1A1 944/4885KDM4E 3835/4885HSD17B10 2447/4885

“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.