SCHEMBL4158592

SCHEMBL4158592

Cn1cnc(=O)n2ncc(CCC(=O)Nc3ccc(C(=O)O)cc3)c12.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CYP2C8 P10632 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 3/20 0.35
NPY5R Q15761 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4158588 0.89 MAPT (0.37) MAPTGLAMEN1KMT2AALDH1A1
SCHEMBL6449270 0.78 CYP1A2 (0.38) CYP2C9CYP1A2MAPTNFKB1GLA
SCHEMBL4173932 0.69 MAPT (0.35) MAPTGLAALDH1A1HPGDTSHR
SCHEMBL4836350 0.66 CYP2C9 (0.46) CYP2C9CYP1A2MAPTNFKB1MEN1
SCHEMBL4175164 0.65 RECQL (0.39) MAPTGLAMEN1KMT2AALDH1A1
SCHEMBL4160554 0.64 PARP1 (0.36) CYP2C9MAPTGLAMEN1KMT2A
SCHEMBL4173946 0.63 MAPT (0.35) MAPTGLAMEN1KMT2AALDH1A1
SCHEMBL265614 0.63 TP53 (0.70) CYP2C9CYP1A2MAPTALDH1A1HPGD
SCHEMBL7439101 0.63 CA12 (0.52) CYP2C9CYP1A2MAPTALDH1A1POLB
SCHEMBL2003074 0.63 MAPT (0.77) CYP2C9MAPTMEN1KMT2ATSHR

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 CYP2C9 2568/4885CYP1A2 864/4885MAPT 131/4885
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 CYP2C9 3934/4885CYP1A2 1741/4885MAPT 1185/4885

“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.