SCHEMBL2890079

SCHEMBL2890079

Cc1csc(-c2cncnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
DYRK1B Q9Y463 2/20 0.40
GRIN2B Q13224 9/20 0.40
GRIN1 Q05586 5/20 0.40
CYP2A6 P11509 4/20 0.35
CHEK1 O14757 1/20 0.34
GRM5 P41594 1/20 0.33
SLC6A7 Q99884 1/20 0.33

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
SCHEMBL20288150 0.82 GRIN2B (0.51) DYRK1ADYRK1BGRIN2BGRIN1CYP2A6
SCHEMBL17546562 0.79 DYRK1A (0.68) DYRK1ADYRK1BGRIN2BGRIN1CYP2A6
SCHEMBL26824371 0.75 DYRK1A (0.37) DYRK1ADYRK1B
SCHEMBL9773308 0.74 DAO (0.44) GRIN2BGRIN1CHEK1SLC6A7
SCHEMBL695227 0.71 SLC6A7 (0.41) CHEK1SLC6A7
SCHEMBL29631040 0.71 DYRK1A (0.54) DYRK1ADYRK1BGRIN2BGRIN1SLC6A7
SCHEMBL72613 0.70 AR (0.43) DYRK1ADYRK1BGRIN2BGRIN1CYP2A6
SCHEMBL12031414 0.70 DAO (0.34) GRIN2BGRIN1CHEK1SLC6A7
SCHEMBL28373191 0.68 GSK3B (0.42) GRIN2BGRIN1CYP2A6
SCHEMBL28147641 0.68 HDAC1 (0.40) GRIN2BCYP2A6CHEK1SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP disclosed
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (3 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-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS DYRK1A 4328/4885DYRK1B 4457/4885GRIN2B 3343/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 DYRK1A 2498/4885DYRK1B 2890/4885GRIN2B 4400/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS DYRK1A 4328/4885DYRK1B 4457/4885GRIN2B 3343/4885

“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.