SCHEMBL3325959

SCHEMBL3325959

C(=N\Nc1nc(OCCc2ccccn2)nc(N2CCOCC2)n1)\c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
GAA P10253 6/20 0.62
LMNA P02545 4/20 0.62
PIKFYVE Q9Y2I7 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 4/20 0.62
NPSR1 Q6W5P4 3/20 0.59
THRB P10828 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
TYK2 P29597 2/20 0.49
SYK P43405 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
FES P07332 1/20 0.49
FER P16591 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
SCHEMBL3088439 1.00 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL10195928 1.00 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL425005 0.90 MAPT (0.53) MAPTKMT2AMEN1GAALMNA
SCHEMBL425006 0.90 MAPT (0.53) MAPTKMT2AMEN1GAALMNA
SCHEMBL10197241 0.90 MAPT (0.53) MAPTKMT2AMEN1GAALMNA
SCHEMBL13759054 0.90 MAPT (0.56) MAPTKMT2AMEN1GAALMNA
SCHEMBL10198807 0.90 MAPT (0.56) MAPTKMT2AMEN1GAALMNA
SCHEMBL427631 0.90 MAPT (0.56) MAPTKMT2AMEN1GAALMNA
SCHEMBL427632 0.90 MAPT (0.56) MAPTKMT2AMEN1GAALMNA
SCHEMBL10196633 0.90 MAPT (0.68) MAPTKMT2AMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210140945-A1 METHODS OF TREATING NEUROLOGICAL DISEASES AND DISORDERS MADRIGAL PHARMACEUTICALS INC (US) 2021-05-13 US disclosed
US-20180217130-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS MADRIGAL PHARMACEUTICALS INC (US) 2018-08-02 US disclosed
US-9910031-B2 Compositions and methods for modulating c-Rel-dependent cytokine production MADRIGAL PHARMACEUTICALS, INC. (US) 2018-03-06 US disclosed
US-20160003804-A1 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION ACADIA WOODS PARTNERS, LLC 2016-01-07 US disclosed
US-20120208203-A1 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2012-08-16 US disclosed
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-20080227114-A1 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
WO-2007100631-A9 COMPOSITIONS AND METHODS FOR MODULATING CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS CORP (US) 2007-11-01 WO disclosed
WO-2007100631-A2 COMPOSITIONS AND METHODS FOR MODULATING CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2007-09-07 WO disclosed
US-7045517-B2 Used to treat disorders associated with interleukin-12 overproduction; antiarthritic, antidiabetics; treating sepsis, Crohn's disease, multiple sclerosis, or psoriasis SYNTA PHARMACEUTICALS CORP. (US) 2006-05-16 US disclosed
US-20060069090-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-03-30 US disclosed
US-20050282232-A1 Compositions and methods for modulating c-Rel-dependent cytokine production SYNTA PHARMACEUTICALS CORP. 2005-12-22 US disclosed
US-20040053926-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP., A DELAWARE CORPORATION 2004-03-18 US disclosed
US-6680315-B2 COMPOUNDS THAT DOWN-REGULATE INTERLEUKIN-12 PRODUCTION USED FOR TREATING INFLAMMATORY DISEASES: RHEUMATOID ARTHRITIS, SEPSIS, CHROHN'S DISEASE, MULTIPLE SCLEROSIS, PSORIASIS OR INSULIN-DEPENDENT DIABETES SYNTA PHARMACEUTICALS CORP. 2004-01-20 US disclosed
US-20020082259-A1 Triazine compounds SYNTA PHARMACEUTICALS CORP. 2002-06-27 US 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 (5 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-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 MAPT 1747/4885KMT2A 2431/4885MEN1 149/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 MAPT 1747/4885KMT2A 2431/4885MEN1 149/4885
US-20020082259-A1 Triazine compounds CBR1, CBR3, SCO2 MAPT 3970/4885KMT2A 2009/4885MEN1 4394/4885
US-20040053926-A1 Triazine compounds CBR1, CBR3, SCO2 MAPT 3970/4885KMT2A 2009/4885MEN1 4394/4885
US-20060069090-A1 Triazine compounds SCO2, NOXO1, NR2C2 MAPT 4463/4885KMT2A 3110/4885MEN1 4567/4885

“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.