SCHEMBL1665548

SCHEMBL1665548

COc1ccccc1C=NN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.61
GRIN3B O60391 2/20 0.61
GRIN1 Q05586 2/20 0.61
GRIN2A Q12879 2/20 0.61
GRIN2B Q13224 2/20 0.61
GRIN2C Q14957 2/20 0.61
GRIN3A Q8TCU5 2/20 0.61
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
NFE2L2 Q16236 3/20 0.50
TRPA1 O75762 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL14950340 1.00 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31182413 1.00 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Sulfamide SCHEMBL28170126 0.91 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2318116 0.82 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2317614 0.81 CA12 (0.68) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12957594 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12017600 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23329968 0.79 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2160891 0.79 HPGD (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL213164 0.79 GRIN2D (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
EP-1917251-B1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES KARTNER NORBERT 2011-08-04 US disclosed
EP-2308852-A1 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-04-13 EP disclosed
EP-1917251-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022947-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 GRIN2D 232/4885GRIN3B 76/4885GRIN1 110/4885
US-20110189306-A1 COMPOUNDS, COMPOSITIONS AND TREATMENTS FOR V-ATPase RELATED DISEASES ATP6V1E1, ATP6V1G1, ATP6V1H GRIN2D 3388/4885GRIN3B 2435/4885GRIN1 2138/4885

“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.