SCHEMBL4008575

SCHEMBL4008575

Cc1nn(C)c2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA2B P29275 1/20 0.50
DYRK1A Q13627 5/20 0.43
NFATC1 O95644 3/20 0.43
GSK3B P49841 3/20 0.43
ADORA3 P0DMS8 1/20 0.41
NAMPT P43490 2/20 0.39
SLC34A1 Q06495 3/20 0.38
ELANE P08246 1/20 0.37
GLS O94925 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
GRM4 Q14833 1/20 0.35
ATM Q13315 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL13041950 0.84 ADORA2A (0.50) ADORA2AADORA2BDYRK1ANFATC1GSK3B
Ammonia Solution, Strong SCHEMBL29096508 0.82 ADORA2A (0.48) ADORA2AADORA2BDYRK1ANFATC1GSK3B
SCHEMBL25971676 0.78 DYRK1A (0.39) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL659962 0.78 DYRK1A (0.42) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL21894106 0.78 GSK3B (0.42) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL23145661 0.78 DYRK1A (0.42) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL21893785 0.76 DYRK1A (0.41) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL21893439 0.76 DYRK1A (0.40) ADORA2ADYRK1ANFATC1GSK3BADORA3
SCHEMBL11916066 0.76 DYRK1A (0.40) ADORA2ADYRK1ANFATC1GSK3BADORA3
Formamide SCHEMBL29063839 0.75 ELANE (0.44) ADORA2AADORA2BDYRK1ANFATC1GSK3B

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2016084866-A1 NOVEL DIAZABICYCLO DERIVATIVE 持田製薬株式会社 2016-06-02 WO disclosed
EP-2867222-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS Novartis AG (CH) 2015-05-06 EP disclosed
WO-2014002057-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2014-01-03 WO disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ADORA2A 1225/4885ADORA2B 1464/4885DYRK1A 2576/4885
US-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 ADORA2A 405/4885ADORA2B 315/4885DYRK1A 2483/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 ADORA2A 678/4885ADORA2B 554/4885DYRK1A 2246/4885
US-20060270657-A1 N-substituted heterocyclic sulfonamides SULT2A1, PSEN1, PSEN2 ADORA2A 1431/4885ADORA2B 860/4885DYRK1A 3666/4885

“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.