SCHEMBL20139059

SCHEMBL20139059

CCNC(CC(=O)OC)c1ccc(OC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.43
KCNK9 Q9NPC2 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
NNMT P40261 1/20 0.40
OXTR P30559 1/20 0.40
CHRNA7 P36544 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ADRB3 P13945 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
PABPC1 P11940 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8336651 0.81 KMT2A (0.46) KCNK3KMT2AMEN1KDM4EMAPT
SCHEMBL20153393 0.81 KCNK3 (0.42) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL23462651 0.79 KCNK3 (0.39) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL6108573 0.79 KCNK3 (0.42) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL6108575 0.79 KCNK3 (0.42) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL5091415 0.79 NNMT (0.46) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL7081677 0.79 NNMT (0.46) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL23558962 0.78 OXTR (0.39) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL17262997 0.77 ADRB3 (0.38) KCNK3KCNK9KMT2AMEN1KDM4E
SCHEMBL13719466 0.77 ADRB3 (0.38) KCNK3KCNK9KMT2AMEN1KDM4E

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 10 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
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
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 KCNK3 1847/4885KCNK9 1064/4885KMT2A 2129/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 KCNK3 1847/4885KCNK9 1064/4885KMT2A 2129/4885

“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.