SCHEMBL2017666

SCHEMBL2017666

Cc1cccc(C)c1-c1nnc(Cl)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.36
BCHE P06276 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36
EPHA4 P54764 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
C5AR1 P21730 1/20 0.31
NUDT1 P36639 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2020802 0.77 ALDH1A1 (0.36) ACHEBCHEGRIN1GRIN2AEPHA4
SCHEMBL580172 0.75 MEN1 (0.44) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL30101051 0.72 MAPK1 (0.37) ACHEKDM4EALDH1A1LMNAMAPT
SCHEMBL587789 0.72 MAPK1 (0.37) ACHEKDM4EALDH1A1LMNAMAPT
SCHEMBL580365 0.71 LMNA (0.46) KDM4EALDH1A1LMNAKMT2A
SCHEMBL30108731 0.70 NLRP3 (0.38) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL24379631 0.70 NSD2 (0.35) ACHEKDM4EKMT2A
SCHEMBL30932816 0.70 NSD2 (0.35) ACHEKDM4EKMT2A
SCHEMBL28934784 0.70 NSD2 (0.35) ACHEKDM4EKMT2A
SCHEMBL26306794 0.70 NSD2 (0.35) ACHEKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-8338591-B2 3-aryl-5,6-disubstituted pyridazines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-12-25 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
US-20110160187-A1 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORPORATION (US) 2011-06-30 US disclosed
EP-1745039-A4 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORP (US) 2009-07-22 EP disclosed
EP-1745039-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES Neurogen Corporation (US) 2007-01-24 EP disclosed
WO-2006004589-A2 3-ARYL-5,6-DISUBSTITUTED PYRIDAZINES NEUROGEN CORPORATION (US) 2006-01-12 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-20110160187-A1 3-aryl-5,6-disubstituted pyridazines MMP25, MMP9, MMP3 ACHE 932/4885BCHE 2204/4885GRIN1 3543/4885

“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.