SCHEMBL18960379

SCHEMBL18960379

Cc1ccc2nc(N)n(C3COC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.45
▸ CYP11B2 P19099 1/20 0.43
▸ PRKACA P17612 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ NCK1 P16333 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 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
SCHEMBL2362323 0.84 CYP11B2 (0.50) TLR8CYP11B2PRKACARPS6KB1GSK3B
SCHEMBL2360920 0.82 HCAR1 (0.50) TLR8CYP11B2PRKACARPS6KB1GSK3B
SCHEMBL2362280 0.80 CYP11B2 (0.47) TLR8CYP11B2PRKACARPS6KB1GSK3B
SCHEMBL21983715 0.72 CYP2A6 (0.34) CYP11B2PRKACARPS6KB1GSK3BKDM4E
SCHEMBL2337873 0.72 SMN1; SMN2 (0.50) KDM4EKMT2AGAAMAPTALDH1A1
SCHEMBL1704421 0.71 TLR8 (0.58) TLR8KDM4EMAPK1CXCL8GAA
SCHEMBL979518 0.71 TLR8 (0.58) TLR8KDM4EMAPK1CXCL8GAA
SCHEMBL29547847 0.71 MCHR1 (0.42) CYP11B2KDM4EMAPK1MAPTALDH1A1
SCHEMBL15345133 0.71 CYP11B2 (0.49) CYP11B2KDM4EMAPK1POLBKMT2A
SCHEMBL17673618 0.71 MCHR1 (0.42) CYP11B2KDM4EMAPK1MAPTALDH1A1

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 — — 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 TLR8 2283/4885CYP11B2 213/4885PRKACA 4517/4885

“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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