SCHEMBL5161649

SCHEMBL5161649

CCC(N)Cn1ncc(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HTR2A P28223 8/20 0.32
HTR2C P28335 8/20 0.32
HTR2B P41595 3/20 0.32
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HTR1D P28221 1/20 0.30
HTR7 P34969 1/20 0.30
HTR4 Q13639 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3943493 0.88 TSHR (0.34) TSHRHTR2AHTR2CHTR2BHTR1A
SCHEMBL5160547 0.81 TSHR (0.31) TSHR
SCHEMBL5160540 0.81 HTR2C (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6068577 0.81 SMPD3 (0.31) HTR2AHTR2CHTR2B
SCHEMBL5386512 0.80 CSNK2A1 (0.35) TSHRHTR2AHTR2CHTR2B
SCHEMBL5429792 0.80
SCHEMBL5386698 0.79 ALDH1A1 (0.34) TSHRSMN1; SMN2
SCHEMBL5398742 0.79 TSHR (0.37) TSHRHTR2AHTR2CHTR2BHTR1A
SCHEMBL5160985 0.78 HTR2A (0.35) TSHRHTR2AHTR2CHTR2BHTR1A
SCHEMBL5418599 0.76 HTR2C (0.34) TSHRHTR2AHTR2CHTR2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406874-B1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES OREAL (FR) 2007-03-28 EP claimed
US-7014663-B2 Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-03-21 US claimed
US-20050015893-A1 Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres L'OREAL (FR) 2005-01-27 US claimed
EP-1406874-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-14 EP claimed
WO-2003008385-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLES SUBSTITUTED BY AN AMINOALKYL OR AMINOALKENYL RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-01-30 WO claimed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7014663-B2 Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-03-21 US disclosed
US-20050015893-A1 Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres L'OREAL (FR) 2005-01-27 US 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-20050015893-A1 Compounds derived from diaminopyrazoles substituted by an aminoalkyl or aminoalkenyl radical and their use in oxidation dyeing of keratinous fibres KRT18, AOC1, AKR1C3 TSHR 4546/4885HTR2A 4208/4885HTR2C 2134/4885

“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.