SCHEMBL20156299

SCHEMBL20156299

CCOC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2B P29275 1/20 0.37
ELANE P08246 3/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.34
SUCNR1 Q9BXA5 3/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 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
SCHEMBL21281669 0.87 ELANE (0.35) ADORA3ADORA2AADORA1ADORA2BELANE
SCHEMBL21281672 0.85 SUCNR1 (0.39) KDM4ELMNAPDE10ASUCNR1
SCHEMBL21281715 0.84 KDM4E (0.44) ADORA3ADORA2AADORA1ADORA2BELANE
SCHEMBL21281671 0.82 TP53 (0.38) ELANEPOLBTSHRNPC1RAB9A
SCHEMBL20156300 0.81 KDM4E (0.35) ELANEMAOBPOLBTSHRNPC1
SCHEMBL21272527 0.79 TEAD2 (0.40) ADORA3ADORA2AADORA1ELANEPOLB
SCHEMBL21272567 0.78 TEAD2 (0.37) ADORA3ADORA2AADORA1TSHRNPC1
SCHEMBL21281660 0.77 MYC (0.31) POLBKDM4EHSD17B10LMNA
SCHEMBL20156077 0.76 NPC1 (0.40) POLBNPC1KDM4ELMNASUCNR1
SCHEMBL20139157 0.76 MAOB (0.45) ADORA3ADORA2AADORA1ADORA2BELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 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

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 ADORA3 381/4885ADORA2A 1829/4885ADORA1 214/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 ADORA3 381/4885ADORA2A 1829/4885ADORA1 214/4885

“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.