SCHEMBL13809406

SCHEMBL13809406

Cc1cc(C)c2c(c1)Cc1cccc(C)c1N2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.44
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
DAO P14920 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
AHR P35869 1/20 0.33
CACNG2 Q9Y698 1/20 0.32
KMT2A Q03164 2/20 0.32
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PDE7A Q13946 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL21214242 0.81 MEN1 (0.43) HTR5AGRIA1CACNG8AHRKMT2A
SCHEMBL6285150 0.76 HTR5A (0.41) HTR5AGRIA1CACNG8DAOKMT2A
SCHEMBL9670200 0.76 CASP6 (0.51) GRIA1CACNG8DAOKMT2AALDH1A1
SCHEMBL27418874 0.74 HTR5A (0.53) HTR5ADAOKMT2ACREBBPALDH1A1
SCHEMBL11537645 0.74 NPC1 (0.47) HTR5AGRIA1CACNG8DAOAHR
SCHEMBL688899 0.72 GRIA1 (0.42) GRIA1CACNG8AHRCACNG2KMT2A
SCHEMBL433799 0.72 AHR (0.61) HTR5AGRIA1CACNG8DAOAHR
SCHEMBL20991136 0.72 HTR5A (0.47) HTR5AGRIA1CACNG8DAOAHR
SCHEMBL19142696 0.72 HTR5A (0.47) HTR5AGRIA1CACNG8DAOAHR
SCHEMBL12330258 0.70 HTR5A (0.40) HTR5AGRIA1CACNG8DAOCREBBP

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-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
US-7385058-B1 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-06-10 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-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION ABL1, AOC1, NPPA HTR5A 3777/4885GRIA1 1044/4885CACNG8 4484/4885

“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.