SCHEMBL23914618

SCHEMBL23914618

CCOc1cc2cn[nH]c2cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.59
TRPA1 O75762 1/20 0.49
FGFR2 P21802 4/20 0.47
FGFR1 P11362 3/20 0.47
FGFR3 P22607 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
APAF1 O14727 1/20 0.43
NOS1 P29475 2/20 0.42
METAP2 P50579 2/20 0.42
CSNK2A1 P68400 1/20 0.42
DYRK1A Q13627 1/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL28936194 0.94 AXL (0.69) AXLTRPA1FGFR2FGFR1FGFR3
SCHEMBL680200 0.81 AXL (0.87) AXLTRPA1MAPTKDM4EALDH1A1
SCHEMBL23915494 0.81 TRPA1 (0.49) AXLTRPA1FGFR2FGFR1FGFR3
SCHEMBL23915493 0.80 AXL (0.51) AXLTRPA1FGFR2FGFR1NOS1
SCHEMBL23908907 0.79 TRPA1 (0.53) AXLTRPA1MAPTKDM4EALDH1A1
SCHEMBL680033 0.78 AXL (0.49) AXLFGFR1NOS1METAP2CSNK2A1
SCHEMBL15536254 0.77 CHEK1 (0.58) AXLTRPA1FGFR2FGFR1FGFR3
SCHEMBL24358639 0.77 FGFR2 (0.56) AXLTRPA1FGFR2FGFR1FGFR3
SCHEMBL23915491 0.77 TRPA1 (0.52) AXLTRPA1FGFR2FGFR1FGFR3
SCHEMBL27190416 0.77 AXL (0.55) AXLTRPA1KDM4EALDH1A1KMT2A

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 AXL 4402/4885TRPA1 656/4885FGFR2 501/4885

“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.