SCHEMBL3593663

SCHEMBL3593663

COC(=O)c1ccc(COc2nc(-c3nccs3)cc(-c3ccoc3)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.49
▸ TSHR P16473 1/20 0.41
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ SQOR Q9Y6N5 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL3590309 0.91 SQOR (0.44) SYKHPGDSQORKDM5AKDM5B
SCHEMBL3592516 0.87 ALDH1A1 (0.46) TSHRADORA2AADORA1HPGDSQOR
SCHEMBL3586912 0.86 SQOR (0.42) SYKTSHRADORA2AADORA1DCUN1D1
SCHEMBL29442314 0.86 SQOR (0.42) SYKTSHRADORA2AADORA1DCUN1D1
SCHEMBL3595104 0.82 SQOR (0.46) TSHRADORA2AADORA1HPGDSQOR
SCHEMBL14390896 0.78 HPGD (0.42) SYKHPGDALOX5
SCHEMBL13545980 0.77 HDAC1 (0.41) TSHRADORA2AADORA1HPGDALDH1A1
SCHEMBL3580685 0.77 PDE5A (0.48) ADORA2AADORA1HPGDSQORALDH1A1
SCHEMBL3592445 0.76 SQOR (0.47) HPGDSQORALDH1A1MAPTL3MBTL1
SCHEMBL3592845 0.75 KMT2A (0.41) ADORA2AADORA1HPGDSQORALDH1A1

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — 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 (1 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 SYK 952/4885TSHR 4692/4885ADORA2A 3605/4885

“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.

Send feedback