SCHEMBL4180454

SCHEMBL4180454

O=C(c1ccccc1)c1cnn2c(=O)[nH]c(C3CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ HTR2B P41595 3/20 0.36
▸ PLAT P00750 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL4177657 0.67 MAPK14 (0.44) ALDH1A1SMN1; SMN2MAPK14HSD17B10FGFR1
SCHEMBL7362761 0.67 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTTSHRHSD17B10
SCHEMBL7364096 0.64 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTTSHRHSD17B10
SCHEMBL4173893 0.62 CRHR1 (0.44) ALDH1A1SMN1; SMN2MAPTMAPK14TSHR
SCHEMBL14572797 0.62 TYK2 (0.39) ALDH1A1MAPTMAPK14TSHRLMNA
SCHEMBL1785254 0.61 ALDH1A1 (0.42) ALDH1A1MAPTGAA
SCHEMBL27297386 0.60 AKR1C3 (0.53) ALDH1A1SMN1; SMN2MAPTKEAP1NFE2L2
SCHEMBL27606823 0.60 CYP2C8 (0.42) ALDH1A1SMN1; SMN2MAPTKEAP1NFE2L2
SCHEMBL5790981 0.59 CLK4 (0.64) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL10554596 0.59 IRAK4 (0.57) SMN1; SMN2MAPTHSD17B10LMNAHPGD

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-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 — — US claimed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 — — US claimed
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 — — US disclosed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 — — 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 (2 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-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same PMP22, BDNF, GRIK5 HTR2C 986/4885ALDH1A1 312/4885SMN1; SMN2 5/4885
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF HTR2C 710/4885ALDH1A1 424/4885SMN1; SMN2 411/4885

“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.

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