SCHEMBL2017629

SCHEMBL2017629

Cc1cccc(C)c1-c1cc(C2CCC2)c(Cl)nn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.35
HTR2C P28335 4/20 0.33
NOS2 P35228 1/20 0.33
GRM2 Q14416 1/20 0.33
RORC P51449 1/20 0.32
ALOX5AP P20292 6/20 0.32
FEN1 P39748 6/20 0.32
PROKR1 Q8TCW9 2/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL31314212 0.71 TDO2 (0.35) NOS2ALOX5APFEN1
SCHEMBL2015639 0.70 ALDH1A1 (0.38)
SCHEMBL2647857 0.70 TDP1 (0.40) PSMB5
SCHEMBL30833923 0.70 TDP1 (0.40) PSMB5
SCHEMBL31524176 0.70 TDP1 (0.40) PSMB5
SCHEMBL24574595 0.70 PDE10A (0.38)
SCHEMBL8111724 0.69 TDP1 (0.36)
SCHEMBL12169704 0.68 KMT2A (0.35) IKBKBNOS2
SCHEMBL1202243 0.67 TDO2 (0.39) GRM2FEN1
SCHEMBL17594697 0.67 RAF1 (0.52)

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 9 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
CN-1984904-A 3-aryl-5,6-disubstituted pyridazines NEUROGEN CORP (US) 2007-06-20 CN 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 IKBKB 1366/4885HTR2C 1613/4885NOS2 792/4885

“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.