SCHEMBL6179970

SCHEMBL6179970

O=c1[nH]ncc(NCCN2CCN(c3ccccc3)CC2)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.51
▸ DRD2 P14416 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ HTR7 P34969 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ POLB P06746 4/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6181302 0.89 DRD2 (0.55) PKMDRD2HTR2AHRH1LMNA
SCHEMBL6181230 0.84 PKM (0.52) PKMALDH1A1DRD2HTR2AHRH1
SCHEMBL6184467 0.84 PKM (0.52) PKMALDH1A1DRD2HTR2AHTR7
SCHEMBL6181546 0.84 PKM (0.50) PKMALDH1A1HTR2ALMNAPOLB
SCHEMBL14739433 0.83 CNR1 (0.52) PKMHTR2ALMNAPOLBKMT2A
SCHEMBL6586501 0.82 HTR7 (0.48) DRD2HTR2AHTR7KMT2AHTR1A
SCHEMBL9527442 0.82 HTR1A (0.60) DRD2ADRA1DADRA1AADRA1BPOLB
SCHEMBL9531572 0.81 KAT2B (0.58) DRD2HTR2AHRH1ADRA1DADRA1A
SCHEMBL5926059 0.78 HTR1A (0.50) ADRA1AHTR1A
SCHEMBL5926097 0.76 HTR7 (0.56) PKMDRD2HTR2AHRH1HTR7

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 375/4885ALDH1A1 326/4885DRD2 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.

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