SCHEMBL6760429

SCHEMBL6760429

Nc1ccnn1Cc1ccc(Cn2nccc2N)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.81
ALDH1A1 P00352 2/20 0.65
PKM P14618 2/20 0.65
POLB P06746 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
SLC2A1 P11166 1/20 0.41
TSHR P16473 2/20 0.39
P2RX7 Q99572 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.36
MITF O75030 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
SCHEMBL1491057 0.92 KDM4E (0.70) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491083 0.90 KDM4E (0.68) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL12340306 0.90 KDM4E (0.68) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491118 0.90 KDM4E (0.68) KDM4EALDH1A1PKMPOLBSLC2A1
SCHEMBL1491110 0.90 KDM4E (1.00) KDM4EALDH1A1PKMTSHRP2RX7
SCHEMBL568868 0.90 KDM4E (0.72) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491139 0.87 KDM4E (0.64) KDM4EALDH1A1PKMPOLBTSHR
SCHEMBL1613253 0.86 KDM4E (0.62) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL1491055 0.86 KDM4E (0.62) KDM4EALDH1A1PKMPOLBGAA
SCHEMBL174384 0.86 KDM4E (0.62) KDM4EALDH1A1PKMSMN1; SMN2MAPT

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-6716257-B2 OXIDATION DYES, WHICH ARE USED FOR TREATMENT OF HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
EP-1236460-B1 Bridged diamino pyrazoles and colouring agents containing them WELLA AG (DE) 2003-11-26 EP disclosed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 US disclosed
EP-1236460-A1 Bridged diamino pyrazoles and colouring agents containing them Wella Aktiengesellschaft (DE) 2002-09-04 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-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 KDM4E 1827/4885ALDH1A1 11/4885PKM 1453/4885

“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.