SCHEMBL16712975

SCHEMBL16712975

O=C1CCN(S(=O)(=O)c2cccc3cnccc23)CCN1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.77
PRKCG P05129 5/20 0.77
PRKCB P05771 5/20 0.77
PRKCA P17252 5/20 0.77
PRKCH P24723 5/20 0.77
PRKCI P41743 5/20 0.77
PRKCE Q02156 5/20 0.77
PRKCQ Q04759 5/20 0.77
PRKCZ Q05513 5/20 0.77
PRKCD Q05655 5/20 0.77
PRKD1 Q15139 5/20 0.77
CYP3A4 P08684 4/20 0.77
PRKACA P17612 4/20 0.77
PRKACG P22612 4/20 0.77
PRKACB P22694 4/20 0.77
ADORA3 P0DMS8 2/20 0.77
CYP2C19 P33261 2/20 0.77
KDM4E B2RXH2 1/20 0.77
CYP1A2 P05177 1/20 0.77
ROCK2 O75116 11/20 0.71

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
SCHEMBL29968762 0.87 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL1272907 0.87 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL30422637 0.87 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL5176161 0.86 PRKD3 (0.97) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL30084459 0.86 PRKD3 (0.97) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL29629288 0.86 PRKD3 (0.97) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL29968274 0.86 PRKD3 (0.97) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL1165381 0.86 PRKD3 (0.97) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7315948 0.86 PRKD3 (0.74) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL31655516 0.85 PRKD3 (0.95) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-9617214-B2 Compounds for cognitive enhancement and methods of use thereof THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2017-04-11 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
US-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
WO-2015070170-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-05-14 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-20160272587-A1 COMPOUNDS FOR COGNITIVE ENHANCEMENT AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA PRKD3 323/4885PRKCG 103/4885PRKCB 432/4885

“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.