SCHEMBL7801386

SCHEMBL7801386

Cc1cc2nc(C)c(C)c(C)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.37
PIK3CG P48736 1/20 0.37
KMT2A Q03164 2/20 0.37
DPP4 P27487 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL2270920 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL12838060 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL25746591 0.79 KDM4E (0.46) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL11930695 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL19194883 0.79 KDM4E (0.46) KDM4EALDH1A1MAPTPOLBCYP1A2
SCHEMBL13258606 0.77 NPC1 (0.67) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL5071803 0.77 CYP1A2 (0.47) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL12797755 0.74 CYP1A2 (0.43) KDM4EHPGDMAPTPOLBCYP1A2
SCHEMBL10388599 0.72 KDM4E (0.66) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL5270607 0.71 PIK3CG (0.68) KDM4EALDH1A1HPGDMAPTPOLB

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 KDM4E 836/4885ALDH1A1 443/4885HPGD 1020/4885

“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.