SCHEMBL20154342

SCHEMBL20154342

CC(C)(C)[S+]([O-])/N=C/c1cnc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 7/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
GPR3 P46089 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 3/20 0.34
PDE10A Q9Y233 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21271494 1.00 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL28463404 0.81 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL30238663 0.81 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL28463403 0.81 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL20154295 0.77 PDGFRB (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL21271507 0.77 PDGFRB (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL21271508 0.77 PDGFRB (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL29702254 0.77 PDGFRB (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL28430958 0.77 PDGFRB (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL20569115 0.77 CYP1A2 (0.39) RAB9ANPC1GPR3CYP1A2

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
CN-111433207-B As alpha V Pyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
CN-110139864-B Pyrrole amides as alpha V integrin inhibitors 百时美施贵宝公司 2022-08-23 CN 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
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-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 US disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
EP-3707142-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-16 EP disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-21 US disclosed
CN-111433207-A As αVPyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2020-07-17 CN disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089360-A1 PYRROLE AMIDES 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 (4 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 RAB9A 924/4885SMN1; SMN2 3658/4885NPC1 2916/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 RAB9A 886/4885SMN1; SMN2 3970/4885NPC1 2021/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 RAB9A 639/4885SMN1; SMN2 3967/4885NPC1 1979/4885
US-10717736-B2 Pyrrole amides as alpha V integrin inhibitors ITGAV, ITGB1, ITGA1 RAB9A 924/4885SMN1; SMN2 3658/4885NPC1 2916/4885

“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.