SCHEMBL7798103

SCHEMBL7798103

O=[N+]([O-])c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HPGD P15428 5/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7798043 0.80 L3MBTL1 (0.40) LMNAHPGDCYP2C9CYP2C19MAPT
SCHEMBL7458893 0.74 LMNA (0.48) LMNAHPGDCYP2C9CYP2C19MAPT
SCHEMBL23327428 0.67 POLB (0.40) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL11603518 0.67 KDM4E (0.54) HPGDMAPTKDM4EALDH1A1POLB
SCHEMBL1008028 0.67 LMNA (0.53) LMNAHPGDMAPTKDM4EALDH1A1
SCHEMBL29934119 0.65 POLB (0.33) LMNAHPGDMAPTKDM4EALDH1A1
SCHEMBL6855708 0.65 ALDH1A1 (0.50) HPGDCYP2C9CYP2C19MAPTKDM4E
SCHEMBL29934209 0.65 ALDH1A1 (0.34) LMNAHPGDCYP2C9CYP2C19MAPT
SCHEMBL7792399 0.64 POLB (0.57) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL21855500 0.63 POLB (0.33) LMNAMAPTALDH1A1CYP3A4POLB

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-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines L'OREAL S.A. 2001-09-13 US disclosed
US-6248137-B1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo [1,5-a]pyrimidines, method of dyeing and novel 3-aminopyrazolo [1,5-a]pyrimidines L'OREAL S.A. (FR) 2001-06-19 US disclosed
EP-0926149-B1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation OREAL (FR) 2001-03-07 EP disclosed
EP-0926149-A1 Keratin fibre dye composition containing 3-aminopyrazolo-(1,5-a)-pyrimidines, dyeing method , 3-aminopyrazolo-(1,5-a)-pyrimidines and their preparation L'OREAL (FR) 1999-06-30 EP 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-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines DPYD, KRT18, PNPO LMNA 1832/4885HPGD 1020/4885CYP2C9 1123/4885

“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.