SCHEMBL5926085

SCHEMBL5926085

O=c1cc(NCCN2CCN(c3ncccn3)CC2)cn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ HTR1A P08908 5/20 0.43
▸ HTR2A P28223 3/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 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
SCHEMBL5926121 0.86 HTR1A (0.46) HTR1AHTR2AHTR2CDRD3DRD2
SCHEMBL5926097 0.83 HTR7 (0.56) HTR1AHTR2ADRD2
SCHEMBL5926325 0.80 DRD2 (0.48) HTR1AHTR2ADRD3DRD2
SCHEMBL5926252 0.80 HTR2A (0.53) HTR1AHTR2AHTR2CCA1CA2
SCHEMBL5926141 0.79 KCNH2 (0.53) HTR1AHTR2ADRD3DRD2
SCHEMBL27263980 0.77 DRD2 (0.54) HTR1AHTR2AHTR2CDRD3DRD2
SCHEMBL6181546 0.76 PKM (0.50) PIM1HTR1AHTR2AHTR2C
SCHEMBL5926079 0.74 HTR1A (0.54) HTR1ADRD4
SCHEMBL5926074 0.72 HTR1A (0.41) HTR1AHTR2AHTR2CDRD3DRD2
SCHEMBL5926075 0.72 HTR1A (0.47) HTR1ADRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211703-A1 Substituted alkyl-pyridazinones for the treatment of memory and learning malfunctions EGIS GYOGYSZERGYAR RT. (HU) 2006-09-21 — — US claimed
EP-1567159-A1 SUBSTITUTED ALKYL-PYRIDAZINONES FOR THE TREATMENT OF MEMORY AND LEARNING MALFUNCTIONS EGIS GYOGYSZERGYAR RT. (HU) 2005-08-31 — — EP claimed
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 claimed
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 claimed
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 claimed
WO-2004043465-A1 SUBSTITUTED ALKYL-PYRIDAZINONES FOR THE TREATMENT OF MEMORY AND LEARNING MALFUNCTIONS EGIS Gyógyszergyár Rt. (HU) 2004-05-27 — — WO claimed
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 claimed
US-20060211703-A1 Substituted alkyl-pyridazinones for the treatment of memory and learning malfunctions EGIS GYOGYSZERGYAR RT. (HU) 2006-09-21 — — US disclosed
EP-1567159-A1 SUBSTITUTED ALKYL-PYRIDAZINONES FOR THE TREATMENT OF MEMORY AND LEARNING MALFUNCTIONS EGIS GYOGYSZERGYAR RT. (HU) 2005-08-31 — — EP disclosed
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-2004043465-A1 SUBSTITUTED ALKYL-PYRIDAZINONES FOR THE TREATMENT OF MEMORY AND LEARNING MALFUNCTIONS EGIS Gyógyszergyár Rt. (HU) 2004-05-27 — — WO 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 (2 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 PIM1 2867/4885HTR1A 64/4885HTR2A 78/4885
US-20060211703-A1 Substituted alkyl-pyridazinones for the treatment of memory and learning malfunctions CHRM1, CHRM2, CHRM5 PIM1 3886/4885HTR1A 225/4885HTR2A 204/4885

“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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