SCHEMBL2512018

SCHEMBL2512018

CCCCN1Cc2cc(NCc3cnccc3N3CCOCC3)cc(C)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 4/20 0.38
BRD4 O60885 3/20 0.38
BRD7 Q9NPI1 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
NAMPT P43490 1/20 0.32
PARP1 P09874 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
SCHEMBL2512557 0.95 BRD4 (0.39) BRD9BRD4POLBGAAALDH1A1
SCHEMBL2512870 0.91 BRD4 (0.38) BRD9BRD4POLBGAAALDH1A1
SCHEMBL2510491 0.87 PIK3CG (0.46) BRD9BRD4POLBGAAALDH1A1
SCHEMBL2510417 0.86 PIK3CA (0.42) BRD9BRD4POLBGAAALDH1A1
SCHEMBL2509815 0.84 BRD4 (0.41) BRD9BRD4POLBGAAALDH1A1
SCHEMBL2510813 0.78 BRD9 (0.40) BRD9BRD4BRD7GAAPIK3CA
SCHEMBL2509809 0.73 PRMT5 (0.40) ALDH1A1PIK3CA
SCHEMBL2511082 0.72 PIK3CA (0.41) GAAALDH1A1ALOX15KDM4EPIK3CA
SCHEMBL2511385 0.69 HDAC6 (0.38) ALDH1A1MAPK1KDM4EPIK3CA
SCHEMBL2511459 0.68 PIK3CG (0.35) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US claimed
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B BRD9 3232/4885BRD4 1063/4885BRD7 2258/4885

“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.