SCHEMBL20141591

SCHEMBL20141591

COc1ncc(C(N)CC(=O)O)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP4K4 O95819 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
LTA4H P09960 1/20 0.38
FFAR1 O14842 11/20 0.36
GAA P10253 2/20 0.35
ACACB O00763 1/20 0.33
CTSA P10619 1/20 0.33
MAPT P10636 1/20 0.33
PLAU P00749 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
SCHEMBL20141587 1.00 KMT2A (0.40) KMT2ASMN1; SMN2MAP4K4ITGB3ITGAV
SCHEMBL5649745 0.83 ITGB3 (0.47) MAP4K4ITGB3ITGAVFFAR1GAA
SCHEMBL20153795 0.81 ALDH1A1 (0.41) SMN1; SMN2MAP4K4
SCHEMBL20154325 0.81 ALDH1A1 (0.41) SMN1; SMN2MAP4K4
SCHEMBL20140862 0.81 KMT2A (0.40) KMT2ASMN1; SMN2ITGB3ITGAVFFAR1
SCHEMBL3727872 0.80 NNMT (0.47) KMT2ASMN1; SMN2ITGB3ITGAVFFAR1
SCHEMBL4475092 0.80 NNMT (0.47) KMT2ASMN1; SMN2ITGB3ITGAVFFAR1
SCHEMBL12463784 0.80 NNMT (0.47) KMT2ASMN1; SMN2ITGB3ITGAVFFAR1
SCHEMBL14380635 0.79 FFAR1 (0.51) ITGB3ITGAVFFAR1GAACTSA
SCHEMBL14380634 0.79 FFAR1 (0.51) ITGB3ITGAVFFAR1GAACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
EP-3707142-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-16 EP disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
EP-3538519-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS 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 (10 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KMT2A 4218/4885SMN1; SMN2 3667/4885MAP4K4 1907/4885
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 KMT2A 3462/4885SMN1; SMN2 3658/4885MAP4K4 1865/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 KMT2A 3659/4885SMN1; SMN2 2576/4885MAP4K4 2780/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KMT2A 4218/4885SMN1; SMN2 3667/4885MAP4K4 1907/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 KMT2A 4025/4885SMN1; SMN2 3970/4885MAP4K4 2286/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV KMT2A 4169/4885SMN1; SMN2 3792/4885MAP4K4 1925/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 KMT2A 3643/4885SMN1; SMN2 3967/4885MAP4K4 2313/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 KMT2A 4218/4885SMN1; SMN2 3667/4885MAP4K4 1907/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KMT2A 3517/4885SMN1; SMN2 2636/4885MAP4K4 2664/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 KMT2A 3462/4885SMN1; SMN2 3658/4885MAP4K4 1865/4885

“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.