SCHEMBL1969795

SCHEMBL1969795

CCOC(=O)c1cncnc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ MAPT P10636 5/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ JAK2 O60674 2/20 0.58
▸ JAK3 P52333 2/20 0.58
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TSHR P16473 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13531252 0.89 CDC7 (0.53) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL6149056 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL13531230 0.84 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL27681418 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL27541726 0.82 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL1965857 0.80 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL31091353 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL2564440 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL24484277 0.79 MAPK1 (0.44) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL4593201 0.79 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 — — EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 — — WO disclosed
US-20100015382-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-21 — — US disclosed
EP-0112617-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 — — EP disclosed
US-4581220-A CURED RESIDUE OF ZIRCONIUM SOLUTION IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-04-08 — — US disclosed
US-4576815-A Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1986-03-18 — — US disclosed
EP-0112617-A1 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 — — 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 (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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ALDH1A1 2292/4885SMN1; SMN2 3751/4885MAPT 1419/4885

“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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