SCHEMBL20156049

SCHEMBL20156049

COC(=O)c1cn(CCc2ccc3cccnc3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 10/20 0.41
BDKRB1 P46663 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PDE10A Q9Y233 2/20 0.39
LCK P06239 1/20 0.37
OXGR1 Q96P68 2/20 0.36
GRM5 P41594 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21281670 0.81 KMT2A (0.45) SUCNR1BDKRB1MEN1KMT2AKDM4E
SCHEMBL21281637 0.79 SUCNR1 (0.42) SUCNR1BDKRB1MEN1KMT2AKDM4E
SCHEMBL21281674 0.78 SUCNR1 (0.41) SUCNR1BDKRB1MEN1KMT2AKDM4E
SCHEMBL20156355 0.77 SUCNR1 (0.42) SUCNR1BDKRB1MEN1KMT2AKDM4E
SCHEMBL20156303 0.74 CXCR4 (0.47)
SCHEMBL3635127 0.73 KDM4E (0.65) MEN1KMT2AKDM4ELMNALCK
SCHEMBL2282033 0.73 CPB2 (0.45) MEN1KMT2A
SCHEMBL27406008 0.73 SUCNR1 (0.50) SUCNR1BDKRB1MEN1KMT2AKDM4E
SCHEMBL20139133 0.71 MEN1 (0.42) MEN1KMT2ALMNA
SCHEMBL26813651 0.71 CPB2 (0.45) MEN1KMT2ALMNA

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-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 SUCNR1 1868/4885BDKRB1 500/4885MEN1 642/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 SUCNR1 1868/4885BDKRB1 500/4885MEN1 642/4885

“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.