SCHEMBL4355754

SCHEMBL4355754

Cc1nc2ccccc2nc1CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.53
PDE10A Q9Y233 3/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GPR3 P46089 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
NQO2 P16083 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
EGFR P00533 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3735430 0.80 LMNA (0.53) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL4344595 0.78 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL16424551 0.78 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL14473916 0.78 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL7074713 0.77 PDE10A (0.56) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL103601 0.75 MAPT (0.62) ALDH1A1MAPTKDM4ECYP1A2GPR3
SCHEMBL29364974 0.75 MAPT (0.62) ALDH1A1MAPTKDM4ECYP1A2GPR3
SCHEMBL11328150 0.75 LMNA (0.49) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL22342229 0.75 ALDH1A1 (0.55) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL12775683 0.75 LMNA (0.49) LMNAKMT2APDE10AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3655398-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS Phenex-FXR GmbH (DE) 2020-05-27 EP disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 CN disclosed
EP-2854804-B1 PYRROLIDINO HETEROCYCLES HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
CN-104364249-B Triazol compound as PDE10 inhibitor 霍夫曼-拉罗奇有限公司 2018-04-17 CN disclosed
CN-104363908-B pyrrolidinyl heterocyclic 霍夫曼-拉罗奇有限公司 2017-12-22 CN disclosed
EP-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9540384-B2 Pyrrolidino heterocycles HOFFMANN-LA ROCHE, INC. (US) 2017-01-10 US disclosed
US-9394311-B2 Triazolo compounds as PDE10 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-07-19 US disclosed
CN-101370765-B Method for selectively producing primary amine SUMITOMO CHEMICAL CO 2013-03-13 CN disclosed
US-8269044-B2 Method for selectively producing primary amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-18 US disclosed
US-20090281325-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
CN-101370765-A Method for selectively producing primary amine SUMITOMO CHEMICAL CO (JP) 2009-02-18 CN disclosed
EP-1961733-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-08-27 EP disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 LMNA 2840/4885KMT2A 1448/4885PDE10A 2204/4885
US-20090281325-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND NAT1, AADAC, AOC3 LMNA 2739/4885KMT2A 351/4885PDE10A 1327/4885

“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.