SCHEMBL5402219

SCHEMBL5402219

CCc1c(Cl)cc(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32

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
SCHEMBL5402493 0.88 RIPK1 (0.35)
SCHEMBL17955227 0.86 P2RX7 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1547515 0.78 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31160546 0.77 CD38 (0.40)
SCHEMBL91355 0.76 TSHR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12658944 0.76 HTR2A (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25370870 0.74 HTR2A (0.32)
SCHEMBL10937568 0.74 CYP3A4 (0.50)
SCHEMBL5413173 0.74
SCHEMBL25370371 0.74 IDO1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941906-B1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 EP disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACUETICALS, INC. (US) 2020-11-10 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-08-15 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 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 (11 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-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, SLC10A1, FXR1 GRIN2D 1203/4885GRIN3B 470/4885GRIN1 754/4885
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A GRIN2D 203/4885GRIN3B 206/4885GRIN1 237/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 GRIN2D 319/4885GRIN3B 202/4885GRIN1 305/4885
US-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS GRIN2D 3142/4885GRIN3B 3454/4885GRIN1 2905/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD GRIN2D 2446/4885GRIN3B 2882/4885GRIN1 2739/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R GRIN2D 178/4885GRIN3B 210/4885GRIN1 203/4885
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, SLC10A1, FXR1 GRIN2D 1203/4885GRIN3B 470/4885GRIN1 754/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR GRIN2D 1446/4885GRIN3B 2348/4885GRIN1 2194/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 GRIN2D 1785/4885GRIN3B 610/4885GRIN1 1857/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR GRIN2D 1446/4885GRIN3B 2348/4885GRIN1 2194/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 GRIN2D 4045/4885GRIN3B 3621/4885GRIN1 1329/4885

“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.