SCHEMBL22286097

SCHEMBL22286097

Cc1ccc(F)c(C(=O)CBr)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.41
PTPN1 P18031 5/20 0.41
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EGFR P00533 1/20 0.33
INSR P06213 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL6191033 0.78 PTPN1 (0.41) GSK3BPTPN1CES2CES1HDAC1
SCHEMBL6190757 0.78 PTPN1 (0.41) GSK3BPTPN1CES2CES1
SCHEMBL12694620 0.77 MAPT (0.37) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL1018937 0.76 MEN1 (0.42) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL697516 0.76 PKM (0.39) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL14797259 0.76 HPGD (0.49) GSK3BPTPN1HTTHPGDCES2
SCHEMBL6191031 0.75 DGAT1 (0.43) GSK3BPTPN1CES2CES1
SCHEMBL6193164 0.75 HDAC1 (0.41) PTPN1HPGDHDAC1HDAC6ALDH1A1
SCHEMBL18033656 0.75 MEP1B (0.38) GSK3BPTPN1MEN1ALDH1A1MAPT
SCHEMBL25046254 0.75 CES2 (0.37) GSK3BCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 GSK3B 975/4885PTPN1 674/4885CCNB2 3692/4885

“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.