SCHEMBL24259014

SCHEMBL24259014

Cn1nc(C2CC2)cc1CCCCCNc1cncc(-c2nc(C3CC3)no2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.38
NR1H4 Q96RI1 1/20 0.37
GSK3A P49840 5/20 0.34
GSK3B P49841 5/20 0.34
FGFR2 P21802 5/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
CSNK1G2 P78368 2/20 0.34
CSNK1G1 Q9HCP0 2/20 0.34
USP7 Q93009 1/20 0.33
EGFR P00533 2/20 0.33
INSR P06213 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 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
SCHEMBL24259069 0.88 NR1H4 (0.42) NR1H4USP7NPC1RAB9A
SCHEMBL22353500 0.82 NR1H4 (0.35) KDRNR1H4GSK3AGSK3BFGFR2
SCHEMBL22353820 0.78 NR1I2 (0.35) KDRNR1H4GSK3AGSK3BFGFR2
SCHEMBL24259059 0.78 NR1H4 (0.36) KDRNR1H4CNR2NPC1RAB9A
SCHEMBL24452269 0.77 KCNT1 (0.35) NR1H4NPC1RAB9A
SCHEMBL22353498 0.76 NR1H4 (0.53) NR1H4
SCHEMBL24452241 0.75 KCNT1 (0.35) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL22354002 0.75 NR1H4 (0.46) NR1H4
SCHEMBL24258962 0.74 NR1H4 (0.41) NR1H4
SCHEMBL22354095 0.73 DRD4 (0.44) EGFR

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 KDR 3069/4885NR1H4 2/4885GSK3A 200/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KDR 3069/4885NR1H4 2/4885GSK3A 200/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 KDR 3069/4885NR1H4 2/4885GSK3A 200/4885

“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.