SCHEMBL6181230

SCHEMBL6181230

O=c1[nH]ncc(NCCN2CCN(c3ccccc3F)CC2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
DRD2 P14416 3/20 0.51
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.47
ADRA1A P35348 4/20 0.46
DRD3 P35462 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR1A P08908 1/20 0.46
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
CACNA1G O43497 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9527442 0.85 HTR1A (0.60) DRD2ADRA1AADRA1DADRA1BHTR1A
SCHEMBL6179970 0.84 PKM (0.59) PKMDRD2HTR2AHRH1ALDH1A1
SCHEMBL6181302 0.83 DRD2 (0.55) PKMDRD2HTR2AHRH1DRD3
SCHEMBL9527005 0.82 ADRA1A (0.52) DRD2HTR2AHRH1ADRA1ADRD3
SCHEMBL6184467 0.81 PKM (0.52) PKMDRD2HTR2AALDH1A1ADRA1A
SCHEMBL5926059 0.80 HTR1A (0.50) ADRA1AHTR1A
SCHEMBL6181546 0.80 PKM (0.50) PKMHTR2AALDH1A1HTR1APOLB
SCHEMBL5926115 0.79 HTR1A (0.47) PKMDRD2ADRA1AADRA1DADRA1B
SCHEMBL5926325 0.79 DRD2 (0.48) DRD2HTR2AHRH1DAOADRA1A
SCHEMBL14739433 0.77 CNR1 (0.52) PKMHTR2APOLBLMNAMAPK1

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 375/4885DRD2 36/4885HTR2A 78/4885

“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.