SCHEMBL4840749

SCHEMBL4840749

CCc1cc(C#N)c(N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 9/20 0.39
MAPT P10636 7/20 0.39
HSD17B10 Q99714 6/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
ALOX15 P16050 4/20 0.39
HPGD P15428 4/20 0.39
USP2 O75604 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ALOX12 P18054 2/20 0.39
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.32
GRM6 O15303 1/20 0.32
MEN1 O00255 4/20 0.31
THRB P10828 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL1974446 0.85 ALDH1A1 (0.38) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL11811716 0.82 ALDH1A1 (0.44) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL28846698 0.80
SCHEMBL23827482 0.79 ALDH1A1 (0.40) GAAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL16863718 0.78 ALDH1A1 (0.33) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL3870166 0.78 ALDH1A1 (0.33) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL10273104 0.73 ALDH1A1 (0.31) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL3301918 0.73 ADORA1 (0.46) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL474156 0.72
SCHEMBL26585026 0.72 ALDH1A1 (0.39) GAAMAPK1ALDH1A1MAPTHSD17B10

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
CN-106380475-B A kind of thieno [2,3 d] pyrimidines and its preparation method and application 湖北民族学院 2018-03-09 CN disclosed
CN-106380475-A Thieno [2, 3-d] pyrimidine compound, preparation method thereof and application thereof 湖北民族学院 2017-02-08 CN disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
EP-1799687-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 EP disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
WO-2006030031-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 WO disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
US-20040063694-A1 Compound useful for the treatment of CNS disorders BROWDER MONTE R (US) 2004-04-01 US disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003104239-A1 COMPOUND FOR THE TREATMENT OF CNS DISORDERS IVAX CORPORATION (US) 2003-12-18 WO disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 EP disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 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 (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-20040063694-A1 Compound useful for the treatment of CNS disorders HMGCR, GRIN2C, CYP11B2 GAA 3633/4885MAPK1 2007/4885ALDH1A1 2405/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 GAA 2268/4885MAPK1 1631/4885ALDH1A1 215/4885
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 GAA 4608/4885MAPK1 1760/4885ALDH1A1 3149/4885

“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.