SCHEMBL20156362

SCHEMBL20156362

CCOC(=O)/C(=C/NCCCc1ccc2cccnc2n1)C(=N)COC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
SUCNR1 Q9BXA5 18/20 0.38
OXGR1 Q96P68 2/20 0.34
BDKRB1 P46663 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL23912916 0.95 MAPT (0.40) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156367 0.90 SUCNR1 (0.41) SUCNR1OXGR1BDKRB1
SCHEMBL20156079 0.84 SUCNR1 (0.38) SUCNR1OXGR1BDKRB1MEN1KMT2A
SCHEMBL20156365 0.84 MAPT (0.39) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156289 0.81 SUCNR1 (0.41) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156243 0.80 MAPT (0.41) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156348 0.78 CYP2D6 (0.40) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156364 0.78 SUCNR1 (0.39) SUCNR1OXGR1BDKRB1
SCHEMBL20156039 0.75 SUCNR1 (0.38) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL20156007 0.75 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6MAPTMAPK1

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 CYP1A2 967/4885CYP3A4 539/4885CYP2D6 2963/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 CYP1A2 967/4885CYP3A4 539/4885CYP2D6 2963/4885

“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.