SCHEMBL7900976

SCHEMBL7900976

Clc1cc(Br)cc2ccn(C3CCOCC3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
PIK3CD O00329 1/20 0.32
MAPT P10636 2/20 0.32
DGAT1 O75907 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TLR9 Q9NR96 1/20 0.30
PKM P14618 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL7907138 0.75 IRAK4 (0.31) IRAK4
SCHEMBL2266129 0.75 DGAT1 (0.43) MAPTDGAT1KDM4CRAB9A
SCHEMBL6743242 0.72 HTR7 (0.40) MAPTDGAT1KDM4C
SCHEMBL30912491 0.68 HCAR1 (0.38) MAPTDGAT1KDM4CMEN1KMT2A
SCHEMBL31559661 0.68 PSMB1 (0.36) IRAK4DGAT1KDM4CKMT2ARXFP1
SCHEMBL30676393 0.67 FAAH (0.38) MAPTDGAT1KDM4C
SCHEMBL30692869 0.66 GRM2 (0.39) IRAK4PIK3CDDGAT1CCNCCDK8
SCHEMBL27140217 0.66 KDM4E (0.38) PIK3CDMAPTKDM4EMEN1RAB9A
SCHEMBL22584990 0.66 GRM2 (0.39) IRAK4PIK3CDDGAT1CCNCCDK8
SCHEMBL30718738 0.66 KDM4E (0.38) PIK3CDMAPTKDM4EMEN1RAB9A

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
US-8691813-B2 Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
US-8691813-B2 Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
EP-2373649-B1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 US disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 US disclosed
WO-2010060589-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-06-03 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-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 IRAK4 807/4885PIK3CD 1584/4885MAPT 830/4885

“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.