SCHEMBL7793045

SCHEMBL7793045

Cc1nc2c([N+](=O)[O-])c(C)nn2c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13335470 0.74 PKM (0.43) PKMALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL8822948 0.73 HTR6 (0.46) PKMALDH1A1KDM4EPTGS2POLB
SCHEMBL12415261 0.73 ALDH1A1 (0.49) PKMALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13791534 0.71 PKM (0.52) PKMALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL7792399 0.70 POLB (0.57) PKMALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13388974 0.68 PKM (0.42) PKMALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2386652 0.66 PKM (0.66) PKMALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL7470373 0.66 PKM (0.46) PKMALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3279266 0.64 PKM (0.48) PKMALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL4561817 0.64 PKM (0.48) PKMALDH1A1SMN1; SMN2L3MBTL1POLB

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 PKM 791/4885ALDH1A1 443/4885KDM4E 836/4885

“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.