SCHEMBL20247263

SCHEMBL20247263

N#Cc1cc(CN2CCOCC2)c(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 7/20 0.47
LRRK2 Q5S007 4/20 0.45
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.37
MOK Q9UQ07 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
TBK1 Q9UHD2 2/20 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
SCHEMBL20468168 0.83 LRRK2 (0.47) CYP2A13LRRK2CYP2C9ALOX15HSD17B10
SCHEMBL633396 0.82 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10HTT
SCHEMBL18340154 0.75 CYP2A13 (0.43) CYP2A13LRRK2HSD17B10CNR2HTT
SCHEMBL29846861 0.74 CYP2A13 (0.49) CYP2A13LRRK2CYP2C9ALOX15HSD17B10
SCHEMBL431122 0.74 CYP2A13 (0.49) CYP2A13LRRK2CYP2C9ALOX15HSD17B10
SCHEMBL23753781 0.74 CYP2A13 (0.49) CYP2A13LRRK2CYP2C9ALOX15HSD17B10
SCHEMBL20247420 0.74 HTT (0.55) CYP2A13LRRK2HTTMAPK1
SCHEMBL20247309 0.72 TRPV4 (0.34)
SCHEMBL1930020 0.72 CYP2A13 (0.61) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL1117900 0.72 CYP2A13 (0.61) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3333157-B1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS HARBIN ZHENBAO PHARMACEUTICAL CO LTD (CN) 2020-12-23 EP disclosed
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors MEDSHINE DISCOVERY INC. (CN) 2019-12-31 US disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 US disclosed
EP-3333157-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-06-13 EP 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 (2 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-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors FGFR1, FLT1, KDR CYP2A13 1278/4885LRRK2 244/4885CYP2C9 319/4885
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS FGFR1, FLT1, KDR CYP2A13 1278/4885LRRK2 244/4885CYP2C9 319/4885

“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.