SCHEMBL7791793

SCHEMBL7791793

Cc1ccnc2c([N+](=O)[O-])cnn12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.48
PKM P14618 3/20 0.41
LMNA P02545 1/20 0.38
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7469746 0.81 POLB (0.47) L3MBTL1POLBALDH1A1PKMLMNA
SCHEMBL7474235 0.81 L3MBTL1 (0.50) L3MBTL1POLBALDH1A1PKMLMNA
Hydrochloric Acid SCHEMBL8151266 0.79 POLB (0.46) L3MBTL1POLBALDH1A1PKMLMNA
SCHEMBL4702080 0.76 ALDH1A1 (0.52) L3MBTL1POLBALDH1A1PKMLMNA
SCHEMBL4701436 0.76 CLK4 (0.56) L3MBTL1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL31329992 0.75 L3MBTL1 (0.41) L3MBTL1POLBALDH1A1PKMLMNA
SCHEMBL11603518 0.74 KDM4E (0.54) L3MBTL1POLBALDH1A1PKMSMN1; SMN2
SCHEMBL4699721 0.74 ALDH1A1 (0.47) L3MBTL1POLBALDH1A1LMNAMEN1
SCHEMBL11962828 0.73 KDM4E (0.59) L3MBTL1POLBALDH1A1PKMSMN1; SMN2
SCHEMBL4700445 0.73 KDM4E (0.48) L3MBTL1POLBALDH1A1MEN1KMT2A

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 L3MBTL1 4824/4885POLB 331/4885ALDH1A1 443/4885

“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.