SCHEMBL9004441

SCHEMBL9004441

CCc1cc2[nH]ccc2cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
AHR P35869 6/20 0.46
NR4A2 P43354 4/20 0.46
CMA1 P23946 1/20 0.46
F7 P08709 1/20 0.46
LTA4H P09960 1/20 0.46
F3 P13726 1/20 0.46
GPR84 Q9NQS5 1/20 0.42
MAOA P21397 3/20 0.38
CYP2A6 P11509 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8526792 0.93 CSNK2A1 (0.55) CSNK2A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10289632 0.84 GPR84 (0.48) CSNK2A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27447560 0.81 CSNK2A1 (0.50) CSNK2A1AHRNR4A2CMA1F7
SCHEMBL8527561 0.79 CSNK2A1 (0.51) CSNK2A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15984640 0.78 GPR84 (0.47) CSNK2A1AHRGPR84MAOAMEN1
SCHEMBL3297032 0.78 GPR84 (0.42) CSNK2A1AHRNR4A2CMA1F7
SCHEMBL10289958 0.78 GPR84 (0.62) CSNK2A1AHRNR4A2CMA1F7
SCHEMBL613747 0.78 CSNK2A1 (0.69) CSNK2A1AHRNR4A2CMA1F7
SCHEMBL14845723 0.76 GPR84 (0.44) CSNK2A1AHRNR4A2CMA1F7
SCHEMBL22433008 0.75 TAS1R3 (0.40) CSNK2A1AHRNR4A2CMA1F7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US disclosed
US-20140163011-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-8367660-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 US disclosed
US-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 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 (14 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CSNK2A1 3997/4885GRIN2D 4695/4885GRIN3B 3742/4885
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 CSNK2A1 3268/4885GRIN2D 4640/4885GRIN3B 4378/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 CSNK2A1 4148/4885GRIN2D 4515/4885GRIN3B 3588/4885
US-20140163011-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 4180/4885GRIN2D 4645/4885GRIN3B 3672/4885
US-20140155626-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CSNK2A1 3997/4885GRIN2D 4695/4885GRIN3B 3742/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CSNK2A1 1260/4885GRIN2D 326/4885GRIN3B 520/4885
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 CSNK2A1 4148/4885GRIN2D 4515/4885GRIN3B 3588/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 CSNK2A1 4148/4885GRIN2D 4515/4885GRIN3B 3588/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 CSNK2A1 4148/4885GRIN2D 4515/4885GRIN3B 3588/4885

“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.