SCHEMBL31018954

SCHEMBL31018954

O=c1[nH]c2cc(Br)cnc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ NPEPPS P55786 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP11B1 P15538 6/20 0.35
▸ CYP11B2 P19099 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FEN1 P39748 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
SCHEMBL27192163 1.00 AURKA (0.39) AURKANPEPPSKDM4EHTTCYP11B1
SCHEMBL27377609 0.85 PLK4 (0.40) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL27192169 0.85 NPEPPS (0.47) AURKANPEPPSKDM4EHTTCYP11B1
SCHEMBL27192102 0.84 NPEPPS (0.37) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL31509949 0.84 NPEPPS (0.37) NPEPPSKDM4EHTTCYP11B1CYP11B2
SCHEMBL30032168 0.81 NPEPPS (0.49) AURKANPEPPSKDM4EHTTMEN1
SCHEMBL27377611 0.81 KDM4E (0.42) NPEPPSKDM4EHTT
SCHEMBL27377735 0.81 CDK1 (0.40) AURKANPEPPSKDM4EHTTCYP11B1
SCHEMBL27192351 0.80 CYP11B1 (0.40) AURKANPEPPSKDM4EHTTCYP11B1
SCHEMBL27378021 0.79 PDE10A (0.38) NPEPPSKDM4EHTTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AURKA 3698/4885NPEPPS 168/4885KDM4E 3744/4885

“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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