SCHEMBL14920316

SCHEMBL14920316

COc1cc(N)nc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32

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
SCHEMBL8656719 0.84 LMNA (0.48) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL11834614 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL26927508 0.78 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL6401649 0.77 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL8198679 0.76 PDE2A (0.52) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL29693606 0.76 LMNA (0.50) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL504020 0.76 LMNA (0.50) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL4254844 0.75 — —
SCHEMBL13068145 0.75 ALDH1A1 (0.41) ALDH1A1NPC1RAB9APDE2ALMNA
SCHEMBL29214462 0.74 ALDH1A1 (0.39) ALDH1A1NPC1RAB9APDE2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788326-B1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RES & DEV (FR) 2019-04-24 — — EP disclosed
CN-104185627-B Pyridone Derivatives 第三共株式会社 2018-01-12 — — CN disclosed
US-9732044-B2 N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides and their pharmaceutical and cosmetic use GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-08-15 — — US disclosed
US-20170066725-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-03-09 — — US disclosed
US-9452120-B2 N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides and their pharmaceutical and cosmetic use GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-09-27 — — US disclosed
EP-2788326-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE Galderma Research & Development (FR) 2014-10-15 — — EP disclosed
US-20140234245-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-08-21 — — US disclosed
WO-2013064681-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-10 — — WO 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-20140234245-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE NR5A1, AR, CYP19A1 ALDH1A1 1847/4885NPC1 1535/4885RAB9A 4370/4885
US-20170066725-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE AR, NR5A1, PPARA ALDH1A1 2442/4885NPC1 1698/4885RAB9A 4474/4885

“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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