SCHEMBL5156401

SCHEMBL5156401

CCc1c(-c2cccnc2)ccnc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.45
▸ MKNK2 Q9HBH9 3/20 0.45
▸ KMO O15229 2/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NUDT1 P36639 2/20 0.42
▸ CYP2A6 P11509 2/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ APP P05067 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9383340 0.88 KDM4E (0.46) CYP3A4CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL946827 0.87 MKNK1 (0.47) MKNK1MKNK2CYP3A4CYP2C9CYP2C19
SCHEMBL947436 0.77 MKNK1 (0.45) MKNK1MKNK2CYP3A4CYP2C19CYP1A2
SCHEMBL18496709 0.74 CAMKK2 (0.53) —
SCHEMBL946085 0.73 MKNK1 (0.43) MKNK1MKNK2CYP3A4CYP2C9CYP2C19
SCHEMBL868001 0.73 KDM4E (0.44) CYP3A4CYP1A2ALDH1A1GAAHCAR2
SCHEMBL25779250 0.72 MKNK1 (0.53) MKNK1MKNK2KMOCYP3A4CYP1A2
SCHEMBL27873010 0.72 PTGS2 (0.49) MKNK1MKNK2KMOCYP3A4CYP1A2
SCHEMBL19857473 0.72 KDM4E (0.55) CYP3A4CYP1A2ALDH1A1GAAKDM4E
SCHEMBL28061001 0.71 MKNK1 (0.51) MKNK1MKNK2CYP3A4CYP2C19CYP1A2

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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 — — US claimed
CN-102725290-B As the condensed heterocyclic compouds of ion channel modulators GILEAD SCIENCES, INC. (US) 2016-03-09 — — CN disclosed
CN-102725290-A Fused heterocyclic compounds as ion channel modulators GILEAD PALO ALTO INC 2012-10-10 — — CN 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 MKNK1 3419/4885MKNK2 2611/4885KMO 1037/4885

“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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