SCHEMBL24259637

SCHEMBL24259637

CC(F)(F)c1ccc(CCCCCNc2cc(Br)ccn2)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
DAO P14920 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 4/20 0.32
ADRA1A P35348 3/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1B P35368 2/20 0.31
KDM4D Q6B0I6 1/20 0.31

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
SCHEMBL24259573 0.75 ITGB3 (0.38) MEN1KMT2AHRH4
SCHEMBL22354330 0.73 ITGB3 (0.39) MEN1KMT2AKDM4DHRH4
SCHEMBL26686229 0.73 DNM2 (0.50) MEN1KMT2AHRH4
SCHEMBL24259605 0.72 DAO (0.38) DAOKMT2AMBOAT4
SCHEMBL16065138 0.70 KDM4D (0.54) MEN1KMT2AEGFRKDM4D
SCHEMBL31240770 0.70 GPR84 (0.44) MEN1KMT2A
SCHEMBL1589644 0.70 HRH4 (0.54) MEN1KMT2AKDM4DHRH4
SCHEMBL22354287 0.70 HCRTR1 (0.32)
SCHEMBL24259543 0.70 CNR2 (0.40) MEN1KMT2AKDM4DHRH4
SCHEMBL22354023 0.70 ITGB3 (0.39) MEN1KMT2AKDM4DHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 PRKAB2 1822/4885PRKAG1 1213/4885PRKAA2 2178/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PRKAB2 1822/4885PRKAG1 1213/4885PRKAA2 2178/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PRKAB2 1822/4885PRKAG1 1213/4885PRKAA2 2178/4885

“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.