SCHEMBL2510491

SCHEMBL2510491

Cc1cc(NCc2cnccc2N2CCOCC2)cc2c1C(=O)N(CC(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.46
IRAK4 Q9NWZ3 7/20 0.39
BRD4 O60885 2/20 0.36
BRD9 Q9H8M2 2/20 0.36
SIK1 P57059 2/20 0.35
SIK2 Q9H0K1 2/20 0.35
SIK3 Q9Y2K2 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 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
SCHEMBL2512870 0.90 BRD4 (0.38) PIK3CGBRD4BRD9GAAALOX15
SCHEMBL2512557 0.88 BRD4 (0.39) PIK3CGBRD4BRD9GAAALOX15
SCHEMBL2512018 0.87 BRD9 (0.38) PIK3CGBRD4BRD9GAAALOX15
SCHEMBL2510417 0.73 PIK3CA (0.42) IRAK4BRD4BRD9GAAALOX15
SCHEMBL2509815 0.71 BRD4 (0.41) IRAK4BRD4BRD9GAAALOX15
SCHEMBL2508796 0.70 PIK3CG (0.45) PIK3CGSIK2
SCHEMBL4331807 0.67 PIK3CG (0.58) PIK3CGSIK2
SCHEMBL2510813 0.64 BRD9 (0.40) BRD4BRD9GAALMNAPIK3CA
SCHEMBL13428833 0.64 CYP2C9 (0.43) BRD4BRD9POLBKDM4EMAPT
SCHEMBL19030809 0.62 IRAK4 (0.51) IRAK4KDM4EALDH1A1LMNA

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 PIK3CG 3558/4885IRAK4 1915/4885BRD4 1063/4885

“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.