SCHEMBL6184467

SCHEMBL6184467

O=c1[nH]ncc(NCCN2CCN(c3ccccn3)CC2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
HTR7 P34969 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.45
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL6181546 0.87 PKM (0.50) PKMHTR1AHTR2AHTR2CKMT2A
SCHEMBL6179970 0.84 PKM (0.59) PKMHTR1ADRD2HTR2AHTR7
SCHEMBL9532001 0.82 KAT2B (0.59) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL6181230 0.81 PKM (0.52) PKMHTR1ADRD2HTR2ADRD3
SCHEMBL9527442 0.78 HTR1A (0.60) HTR1ADRD2DRD4KMT2AADRA1D
SCHEMBL6181302 0.78 DRD2 (0.55) PKMHTR1ADRD2HTR2ADRD3
SCHEMBL5926121 0.78 HTR1A (0.46) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL14739433 0.77 CNR1 (0.52) PKMHTR2AKMT2AMEN1POLB
SCHEMBL9526962 0.76 KAT2B (0.57) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL9526815 0.75 HTR1A (0.47) HTR1ADRD4HTR7ADRA1DADRA1A

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-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2005-02-24 US disclosed
EP-1430034-B1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2005-02-09 EP disclosed
EP-1430034-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 EP disclosed
WO-2003027078-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 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-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same CYP2C19, CYP2D6, CYP3A5 PKM 375/4885HTR1A 64/4885DRD2 36/4885

“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.