SCHEMBL427196

SCHEMBL427196

C(=NNc1nc(OCCc2cccnc2)nc(N2CCOCC2)n1)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
GAA P10253 5/20 0.62
LMNA P02545 4/20 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
PIKFYVE Q9Y2I7 1/20 0.62
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
THRB P10828 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 2/20 0.54
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
PIK3CA P42336 3/20 0.42
MTOR P42345 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL10196380 1.00 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL427195 1.00 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL426269 0.92 MAPT (0.68) MAPTKMT2AMEN1GAALMNA
SCHEMBL426270 0.92 MAPT (0.68) MAPTKMT2AMEN1GAALMNA
SCHEMBL10196633 0.92 MAPT (0.68) MAPTKMT2AMEN1GAALMNA
SCHEMBL16844656 0.90 MAPT (0.63) MAPTKMT2AMEN1GAALMNA
SCHEMBL10195928 0.87 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL3325959 0.87 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL3088439 0.87 MAPT (0.62) MAPTKMT2AMEN1GAALMNA
SCHEMBL13758975 0.86 MAPT (0.64) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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
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-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 (8 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MAPT 238/4885KMT2A 4300/4885MEN1 4796/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885KMT2A 1509/4885MEN1 3751/4885
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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885KMT2A 1939/4885MEN1 293/4885
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.