SCHEMBL4824253

SCHEMBL4824253

COc1ccc(N)c(OC)c1-c1nc(Cl)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FYN P06241 2/20 0.34
▸ KIT P10721 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ PRMT7 Q9NVM4 1/20 0.32
▸ BCL6 P41182 2/20 0.32
▸ AMY1A P0DUB6 1/20 0.32
▸ DHPS P49366 1/20 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
SCHEMBL2134783 0.74 ALDH1A1 (0.39) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL5754678 0.74 HSP90AA1 (0.38) ALDH1A1HTTKDM4ESMN1; SMN2MAPT
SCHEMBL15534139 0.72 ALDH1A1 (0.51) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL7253389 0.71 ALDH1A1 (0.50) ALDH1A1GAAKDM4ESMN1; SMN2HSP90AA1
SCHEMBL20521619 0.71 ALDH1A1 (0.38) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL24970292 0.70 ALDH1A1 (0.45) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL20448220 0.70 SCN9A (0.38) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL20448208 0.70 AR (0.38) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL24054000 0.69 ALDH1A1 (0.41) ALDH1A1GAAHTTKDM4ESMN1; SMN2
SCHEMBL14785028 0.69 CDK2 (0.50) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 — — US disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 — — EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 — — WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 — — 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ALDH1A1 370/4885GAA 3390/4885HTT 3316/4885

“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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