SCHEMBL15095057

SCHEMBL15095057

CC(C)Nc1nc(Nc2ccncc2)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.56
TGFBR1 P36897 1/20 0.53
KCNH3 Q9ULD8 3/20 0.52
PDE4B Q07343 13/20 0.52
PDE4D Q08499 8/20 0.52
POLB P06746 1/20 0.49

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
SCHEMBL29561701 1.00 IDH1 (0.56) IDH1TGFBR1KCNH3PDE4BPDE4D
SCHEMBL15102345 0.90 KCNH3 (0.65) IDH1KCNH3PDE4BPDE4DPOLB
SCHEMBL29561182 0.85 KCNH3 (0.53) IDH1KCNH3PDE4BPDE4DPOLB
SCHEMBL15094889 0.85 KCNH3 (0.53) IDH1KCNH3PDE4BPDE4DPOLB
SCHEMBL15102289 0.85 KCNH3 (0.50) IDH1KCNH3POLB
SCHEMBL15094794 0.85 IDH1 (0.56) IDH1KCNH3POLB
SCHEMBL15102579 0.84 KCNH3 (0.67) IDH1TGFBR1KCNH3POLB
SCHEMBL29561752 0.84 KCNH3 (0.67) IDH1TGFBR1KCNH3POLB
SCHEMBL15094798 0.83 KCNH3 (0.64) IDH1KCNH3
SCHEMBL16392201 0.83 ABCG2 (0.53) IDH1TGFBR1PDE4BPDE4D

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
EP-3406608-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE LES LABORATOIRES SERVIER SAS (FR) 2021-09-15 EP disclosed
US-10294215-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
EP-3406608-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2018-11-28 EP disclosed
EP-2800743-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-10-19 US disclosed
US-9512107-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-9512107-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-11-03 US disclosed
US-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-11-03 US disclosed
US-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-11-03 US disclosed
EP-2800743-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
WO-2013102431-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-11 WO disclosed
WO-2013102431-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-11 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 (6 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-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 IDH1 456/4885TGFBR1 4833/4885KCNH3 4664/4885
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885TGFBR1 4873/4885KCNH3 4722/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885TGFBR1 4873/4885KCNH3 4722/4885
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885TGFBR1 4873/4885KCNH3 4722/4885
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885TGFBR1 4873/4885KCNH3 4722/4885
US-10294215-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885TGFBR1 4873/4885KCNH3 4722/4885

“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.