SCHEMBL5163069

SCHEMBL5163069

CC(N)CCn1ncc(N)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.36
HTR2C P28335 17/20 0.36
HTR2B P41595 7/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.34
HTR4 Q13639 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL5403662 0.86 SMN1; SMN2 (0.34) HTR2AHTR2CTSHR
SCHEMBL5394284 0.85 CSNK2A1 (0.34) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5160540 0.82 HTR2C (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5424913 0.81 CHRNB2 (0.37) TSHR
SCHEMBL5403681 0.81 TSHR (0.30) TSHR
SCHEMBL2923881 0.81 TSHR (0.34) TSHR
SCHEMBL5382959 0.80 TSHR (0.33) HTR2AHTR2CHTR2BTSHR
SCHEMBL14445333 0.80 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL5416068 0.80 HTR1A (0.30) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL5163763 0.79

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 10 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
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 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
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 disclosed
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 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 HTR2A 4208/4885HTR2C 2134/4885HTR2B 3096/4885

“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.