SCHEMBL463564

SCHEMBL463564

Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 10/20 0.70
GRIN3B O60391 10/20 0.70
GRIN1 Q05586 10/20 0.70
GRIN2A Q12879 10/20 0.70
GRIN2B Q13224 10/20 0.70
GRIN2C Q14957 10/20 0.70
GRIN3A Q8TCU5 10/20 0.70
GRIA1 P42261 2/20 0.53
GRIA2 P42262 2/20 0.53
GRIA3 P42263 2/20 0.53
GRIA4 P48058 2/20 0.53
DAO P14920 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.47
PKM P14618 2/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL15322773 0.86 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL123451 0.83 KDM4E (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL121942 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19886333 0.77 ALDH1A1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15296572 0.75 DAO (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21949856 0.74 GRIA1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL463673 0.73 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5769722 0.73 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21676446 0.72 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24715694 0.71 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013153539-A1 TRICYCLIC COMPOUNDS AS TEC KINASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MEDOLUTION LIMITED (US) 2012-03-29 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (4 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20120077851-A1 Urea Derivatives as Kinase Inhibitors MAP3K20, CDK20, MAP3K10 GRIN2D 4624/4885GRIN3B 4399/4885GRIN1 3759/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GRIN2D 1354/4885GRIN3B 1028/4885GRIN1 810/4885

“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.