SCHEMBL1582091

SCHEMBL1582091

Brc1cnn(C2CCN(C3CCC3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
ACHE P22303 3/20 0.38
L3MBTL3 Q96JM7 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
LRRK2 Q5S007 1/20 0.37
HRH3 Q9Y5N1 6/20 0.36
WDR5 P61964 1/20 0.35
MBTD1 Q05BQ5 2/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL1581688 0.97 ACHE (0.41) KDM5AACHEL3MBTL3L3MBTL1L3MBTL4
SCHEMBL2799494 0.93 KDM5A (0.40) KDM5AACHEL3MBTL3L3MBTL1L3MBTL4
SCHEMBL2696054 0.89 ACHE (0.44) KDM5AACHELRRK2WDR5
SCHEMBL574364 0.86 ACHE (0.47) KDM5AACHEWDR5
SCHEMBL16758445 0.84 ACHE (0.46) KDM5AACHEWDR5
SCHEMBL17121177 0.84 ACHE (0.46) KDM5AACHEWDR5
SCHEMBL1404089 0.82
SCHEMBL1428115 0.79 IKBKE (0.44) KDM5A
SCHEMBL16899705 0.79 PRCP (0.34) KDM5AL3MBTL3L3MBTL1LRRK2HRH3
SCHEMBL16899704 0.79 PRCP (0.34) KDM5AL3MBTL3L3MBTL1LRRK2HRH3

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
CN-101018780-B Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors PFIZER 2012-01-11 CN disclosed
EP-1784396-B8 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2011-04-20 EP disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 EP disclosed
CN-101018780-A Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMA (US) 2007-08-15 CN disclosed
EP-1784396-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-16 EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 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 (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-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 KDM5A 2700/4885ACHE 4885/4885L3MBTL3 1172/4885

“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.