SCHEMBL4042219

SCHEMBL4042219

COc1ccccc1C1=NN(c2ccccc2)C(=O)N(c2ccccc2Br)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.46
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE5A O76074 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
FFAR2 O15552 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
SCHEMBL4042771 0.92 UGCG (0.46) UGCGPDCD1CD274MEN1KMT2A
SCHEMBL4039858 0.84 UGCG (0.46) UGCGPDCD1CD274PDE4APDE4B
SCHEMBL4041582 0.83 L3MBTL1 (0.45) PDCD1CD274MEN1KMT2APDE5A
SCHEMBL4043651 0.83 L3MBTL1 (0.47) UGCGPDCD1CD274MEN1KMT2A
SCHEMBL4044542 0.82 PDCD1 (0.39) UGCGPDCD1CD274MEN1KMT2A
SCHEMBL4043112 0.82 CD274 (0.58) UGCGPDCD1CD274MEN1KMT2A
SCHEMBL4044374 0.81 CA12 (0.42) PDCD1CD274MEN1KMT2APDE4A
SCHEMBL4047477 0.78 UGCG (0.46) UGCGPDCD1CD274MEN1KMT2A
SCHEMBL4050443 0.77 PDCD1 (0.48) PDCD1CD274MEN1KMT2APDE5A
SCHEMBL4040905 0.77 HTR7 (0.44) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP 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 (2 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 UGCG 3487/4885PDCD1 3074/4885CD274 2129/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 UGCG 4011/4885PDCD1 3741/4885CD274 3053/4885

“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.