SCHEMBL21271508

SCHEMBL21271508

CC(C)(C)[S@+]([O-])N=Cc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
ADORA2A P29274 1/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
SLC6A4 P31645 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
CYP3A4 P08684 1/20 0.36
MGAM O43451 1/20 0.35

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
SCHEMBL28430958 1.00 PDGFRB (0.48) PDGFRBPDGFRAADORA2ARAB9AKMT2A
SCHEMBL29702254 1.00 PDGFRB (0.48) PDGFRBPDGFRAADORA2ARAB9AKMT2A
SCHEMBL21271507 1.00 PDGFRB (0.48) PDGFRBPDGFRAADORA2ARAB9AKMT2A
SCHEMBL20154295 1.00 PDGFRB (0.48) PDGFRBPDGFRAADORA2ARAB9AKMT2A
SCHEMBL30238682 0.82 ALDH1A1 (0.51) RAB9AKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28898482 0.82 ALDH1A1 (0.51) RAB9AKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28898481 0.82 ALDH1A1 (0.51) RAB9AKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28460239 0.78 ALDH1A1 (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL28460241 0.78 ALDH1A1 (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL30239589 0.78 ALDH1A1 (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD

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
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US 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
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 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-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 PDGFRB 59/4885PDGFRA 91/4885ADORA2A 3442/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 PDGFRB 47/4885PDGFRA 95/4885ADORA2A 828/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 PDGFRB 42/4885PDGFRA 67/4885ADORA2A 3162/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 PDGFRB 53/4885PDGFRA 86/4885ADORA2A 1685/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 PDGFRB 46/4885PDGFRA 90/4885ADORA2A 836/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 PDGFRB 39/4885PDGFRA 89/4885ADORA2A 985/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 PDGFRB 40/4885PDGFRA 97/4885ADORA2A 774/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 PDGFRB 59/4885PDGFRA 91/4885ADORA2A 3442/4885

“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.