SCHEMBL2019728

SCHEMBL2019728

COc1ccc(-c2c(C)cccc2C)nn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NNMT P40261 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SRC P12931 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OXTR P30559 1/20 0.35

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
SCHEMBL12668121 0.85 CYP1A2 (0.41) MAOBTSHRLMNAHTR7SRC
SCHEMBL14450978 0.80 HSP90AA1 (0.44) MAOBMEN1NPC1TSHRRAB9A
SCHEMBL1456221 0.78 NNMT (0.46) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL6134254 0.75 MAOB (0.46) MAOBNPC1TSHRRAB9AKMT2A
SCHEMBL2014264 0.73 LMNA (0.51) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL2015724 0.73 ALDH1A1 (0.41) MEN1KMT2AHTR7KDM4ESRC
SCHEMBL13052047 0.72 ALDH1A1 (0.42) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL353814 0.72 NNMT (0.54) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL29795195 0.72 NNMT (0.54) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL31435406 0.72 RAB9A (0.48) MEN1NPC1TSHRRAB9AKMT2A

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 MAOB 793/4885MEN1 1832/4885NPC1 2799/4885

“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.