Sugi Predict

Sugi Predict / Compounds / SCHEMBL9989341

SCHEMBL9989341

SCHEMBL9989341

FC1CN(c2ncc(Br)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ACACB O00763 5/20 0.37
▸ GRM2 Q14416 2/20 0.35
▸ GRM3 Q14832 2/20 0.35
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL24894887 0.86 GRM2 (0.44) KDM4EGRM2GRM3PDE10A
SCHEMBL29197107 0.86 GRM2 (0.44) KDM4EGRM2GRM3PDE10A
SCHEMBL25195654 0.86 GRM2 (0.44) KDM4EGRM2GRM3PDE10A
SCHEMBL17202235 0.82 ACACB (0.38) KDM4EACACBGRM2GRM3HDAC3
SCHEMBL29197283 0.82 GRM2 (0.39) GRM2GRM3HDAC6ALDH1A1PDE10A
SCHEMBL29197417 0.82 GRM2 (0.39) GRM2GRM3HDAC6ALDH1A1PDE10A
SCHEMBL29197287 0.82 GRM2 (0.39) GRM2GRM3HDAC6ALDH1A1PDE10A
SCHEMBL24757838 0.79 MAP3K12 (0.35) PDE10ADPP4BACE1
SCHEMBL20474631 0.79 KDM4E (0.39) KDM4EACACBGRM2GRM3HDAC3
SCHEMBL16478651 0.79 KDM4E (0.44) KDM4EACACBGRM2GRM3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582698-B1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS INC (US) 2016-09-14 — — EP disclosed
EP-2582698-B1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS INC (US) 2016-09-14 — — EP disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. 2015-03-19 — — US disclosed
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. 2015-03-19 — — US disclosed
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. 2015-03-19 — — US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 — — US disclosed
EP-2582698-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE Vitae Pharmaceuticals, Inc. (US) 2013-04-24 — — EP disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 — — WO disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 — — 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-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 KDM4E 2449/4885ACACB 215/4885GRM2 3720/4885
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 KDM4E 2530/4885ACACB 213/4885GRM2 3738/4885

“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.