SCHEMBL2018101

SCHEMBL2018101

Cc1cccc(C)c1-c1nnc(N(C)C2CCOc3ccccc32)c2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.34
C5AR1 P21730 1/20 0.30

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
SCHEMBL12574544 0.85 MAP3K14 (0.35) MAP3K14
SCHEMBL2026135 0.85 MAP3K14 (0.35) MAP3K14
SCHEMBL2018943 0.77 CRHR1 (0.34)
SCHEMBL2018098 0.75 MAP3K14 (0.34) MAP3K14
SCHEMBL2018099 0.74 HTR2A (0.36) MAP3K14
SCHEMBL2022299 0.69 ALDH1A1 (0.40)
SCHEMBL12574543 0.69 ALDH1A1 (0.40)
SCHEMBL12750353 0.67 CRHR1 (0.33) MAP3K14
SCHEMBL803154 0.67 ITGB2 (0.41) MAP3K14
SCHEMBL12124884 0.65 SLC6A2 (0.39) MAP3K14

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 MAP3K14 1310/4885C5AR1 368/4885

“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.