SCHEMBL20139133

SCHEMBL20139133

COC(=O)c1cn(CCC(C)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM2 Q14416 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
SYK P43405 1/20 0.34
CPB2 Q96IY4 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
SCHEMBL2282033 0.84 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL15775548 0.83 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL21361934 0.83 MEN1 (0.43) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL26813651 0.81 CPB2 (0.45) MEN1KMT2AGRM2ADAMTS5ALDH1A1
SCHEMBL26813648 0.81 CPB2 (0.42) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL7425205 0.80 SMYD3 (0.50) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL5726708 0.80 CPB2 (0.45) MEN1KMT2AGRM2LMNASMYD3
SCHEMBL28579686 0.80 MEN1 (0.41) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL26641301 0.80 KDM5A (0.47) MEN1KMT2AGRM2ADAMTS5MAPK1
Hydrochloric Acid SCHEMBL28773709 0.79 ADA (0.38) GRM2SMYD3CPB2

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 MEN1 642/4885KMT2A 2129/4885GRM2 3868/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 MEN1 642/4885KMT2A 2129/4885GRM2 3868/4885

“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.