SCHEMBL541850

SCHEMBL541850

Clc1ncnc(Cl)c1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
HTT P42858 1/20 0.34
NOTUM Q6P988 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DYRK1A Q13627 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL2059083 0.88 KMT2A (0.39) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL16987183 0.84 HTT (0.37) PDE10AHTT
SCHEMBL30981529 0.84 PDE10A (0.38) PDE10ANOTUM
SCHEMBL31618452 0.80 APLNR (0.35) MEN1KMT2A
SCHEMBL16987138 0.77 ADK (0.40) HTT
SCHEMBL441163 0.72 NOTUM (0.59) NOTUMAXLMKNK1MKNK2
SCHEMBL25407824 0.70 PDE10A (0.41) PDE10A
SCHEMBL16441737 0.70 CHRM4 (0.33)
SCHEMBL1661906 0.70 PDE10A (0.42) PDE10A
SCHEMBL3798829 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-8546429-B2 1,2,3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
CN-102786482-A Akt protein kinase inhibitors ARRAY BIOPHARMA INC 2012-11-21 CN disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
EP-2414334-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-02-08 EP disclosed
US-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7838525-B2 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
WO-2010114958-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-07 WO disclosed
EP-1923390-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-05-21 EP disclosed
EP-1644357-B1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-12 EP disclosed
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
EP-1644357-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed
WO-2005007647-A9 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2005-04-07 WO disclosed
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005007647-A1 TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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 (7 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-20110112060-A1 1,2,3-TRISUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO CYP7A1, CYP27A1, SULT2A1 PDE10A 2316/4885HTT 2277/4885NOTUM 114/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PDE10A 1478/4885HTT 4032/4885NOTUM 2116/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 PDE10A 1478/4885HTT 4032/4885NOTUM 2116/4885
US-20070155763-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the phophylaxis and treatment of disorders related thereto CYP27A1, CYP11B2, CYP11B1 PDE10A 1770/4885HTT 1522/4885NOTUM 907/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R PDE10A 645/4885HTT 1350/4885NOTUM 2399/4885
US-20050070562-A1 Trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, SULT2A1 PDE10A 2491/4885HTT 1688/4885NOTUM 235/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 PDE10A 2140/4885HTT 4100/4885NOTUM 3741/4885

“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.