SCHEMBL3586912

SCHEMBL3586912

COC(=O)c1ccc(COc2nc(-c3ccsc3)cc(-c3ccoc3)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 2/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PTGER2 P43116 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PTGES O14684 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL29442314 1.00 SQOR (0.42) SQORADORA2AADORA1PDE3ATSHR
SCHEMBL3592445 0.91 SQOR (0.47) SQORPDE3APIM1RETKDM4E
SCHEMBL14390897 0.88 CYP3A4 (0.40) ADORA2AADORA1PTGER2PTGESCYP3A4
SCHEMBL3592516 0.86 ALDH1A1 (0.46) SQORADORA2AADORA1TSHRKDM4E
SCHEMBL3593663 0.86 SYK (0.49) SQORADORA2AADORA1TSHRPTGER2
SCHEMBL29442316 0.86 KDM4E (0.50) SQORADORA2AADORA1PDE3ATSHR
SCHEMBL3588813 0.86 KDM4E (0.50) SQORADORA2AADORA1PDE3ATSHR
SCHEMBL3595104 0.84 SQOR (0.46) SQORADORA2AADORA1TSHRPIM1
SCHEMBL14390893 0.78 CHEK2 (0.41) ADORA2AADORA1
SCHEMBL3586498 0.76 SQOR (0.49) SQORKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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 (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 SQOR 3669/4885ADORA2A 3605/4885ADORA1 2470/4885

“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.

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