SCHEMBL9004359

SCHEMBL9004359

CCNc1nc(C)nc(Cl)n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.75
KMT2A Q03164 3/20 0.53
MAPT P10636 1/20 0.53
PDE4A P27815 1/20 0.44
GAA P10253 2/20 0.41
PIK3CA P42336 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4831154 0.86 LMNA (0.90) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL8409822 0.86 LMNA (1.00) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL9130727 0.86 LMNA (1.00) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL37774 0.86 LMNA (1.00) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL28076157 0.84 LMNA (0.95) LMNAKMT2AMAPTPDE4AGAA
SCHEMBL10308806 0.84 LMNA (0.54) LMNAKMT2AGAACYP1A2CYP2C19
SCHEMBL821681 0.84 LMNA (0.61) LMNAKMT2AGAACYP1A2CYP2C19
Simazine SCHEMBL23716534 0.82 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL4731210 0.82 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL9123386 0.82 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA

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
WO-2019047909-A1 CYCLOOLEFIN SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2019-03-14 WO disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
EP-2391683-B1 FIBER-REACTIVE COPPER COMPLEX DISAZO DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2017-03-29 EP disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use CIBA SPECIALTY CHEMICALS CORP. (US) 2007-05-24 US disclosed
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US disclosed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP disclosed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US disclosed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP 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-20070113356-A1 Reactive polysaccharide derivatives, their preparation and their use C1S, H1-0, H1-4 LMNA 654/4885KMT2A 2501/4885MAPT 4550/4885
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885KMT2A 2366/4885MAPT 3621/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4121/4885KMT2A 1452/4885MAPT 2247/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885KMT2A 1406/4885MAPT 2039/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 LMNA 3860/4885KMT2A 2717/4885MAPT 3911/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 LMNA 4289/4885KMT2A 1406/4885MAPT 2039/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885KMT2A 2366/4885MAPT 3621/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 LMNA 3954/4885KMT2A 2366/4885MAPT 3621/4885

“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.