SCHEMBL21474635

SCHEMBL21474635

Cc1ccc(C)c2[nH]c(-c3ccc(C#N)cc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
RHEB Q15382 1/20 0.44
IDO1 P14902 1/20 0.42
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
RAF1 P04049 1/20 0.41
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL14771418 0.77 MGAM (0.38) MGAMGAASIMGAM2
SCHEMBL21474636 0.77 MGAM (0.61) RHEBMGAMGAASIMGAM2
SCHEMBL2947831 0.74 PTGES (0.50) PARP1RHEBIDO1MAPK14MAPK13
SCHEMBL3332734 0.71 RHEB (0.69) RHEBDGAT1SOAT1KCNH2
SCHEMBL28553443 0.67 GAA (0.44) RHEBIDO1MAPK14MAPK13MAPK12
SCHEMBL28158826 0.67 MAPK14 (0.76) RHEBIDO1MAPK14MAPK13MAPK12
SCHEMBL18883093 0.67 GAA (0.44) RHEBIDO1MAPK14MAPK13MAPK12
SCHEMBL18402405 0.67 RHEB (0.49) PARP1RHEBIDO1MAPK14MAPK13
SCHEMBL10869567 0.67 GSK3B (0.52) PARP1
SCHEMBL10869557 0.67 TNKS (0.50) PARP1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115482-A1 MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND PRODUCTION METHOD FOR MIXTURE ZEON CORPORATION (JP) 2020-04-16 US disclosed
US-20200031971-A1 MIXTURE, POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, ANTIREFLECTION FILM, AND METHOD OF USING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-01-30 US disclosed
US-20190330399-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZER, DISPLAY, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-31 US disclosed
US-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-17 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 (1 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-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM CCNA1, CCNA2, ADRA1A PARP1 158/4885RHEB 1877/4885IDO1 1640/4885

“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.