SCHEMBL20139157

SCHEMBL20139157

CCOC(=O)c1cnn(CCc2ccc3cccnc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SUCNR1 Q9BXA5 6/20 0.39
BDKRB1 P46663 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GRM2 Q14416 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
SCHEMBL21281662 0.94 MAOB (0.44) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21281646 0.89 MAOB (0.47) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21281668 0.85 MAOB (0.43) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21281621 0.78 MAOB (0.45) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8083373 0.78 SUCNR1 (0.45) MAOBALDH1A1HPGDSUCNR1MAPT
SCHEMBL21281715 0.77 KDM4E (0.44) MAOBALDH1A1KDM4EHPGDSUCNR1
SCHEMBL20156299 0.76 ADORA3 (0.37) MAOBKDM4EHSD17B10SUCNR1MAPT
SCHEMBL20139121 0.75 ITGAV (0.45)
SCHEMBL16827699 0.74 CREBBP (0.51) MAOBALDH1A1KDM4EHPGDMAPT
SCHEMBL21281671 0.73 TP53 (0.38) ALDH1A1HPGDSUCNR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
EP-3538527-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 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 MAOB 2244/4885ALDH1A1 779/4885KDM4E 739/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 MAOB 2244/4885ALDH1A1 779/4885KDM4E 739/4885

“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.