SCHEMBL2018694

SCHEMBL2018694

COc1cccc([C@@H](C)N(C)c2nnc(-c3c(C)cccc3C)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.38
CASR P41180 3/20 0.38
AOC3 Q16853 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL2016507 0.79 EGFR (0.38) CYP1A2CRHR1
SCHEMBL2017301 0.79 EGFR (0.38) CYP1A2CRHR1
SCHEMBL2021464 0.77 SMN1; SMN2 (0.49) AOC3L3MBTL1LMNAGAATAAR1
SCHEMBL2020407 0.76 CRHR1 (0.43) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12574499 0.76 CRHR1 (0.43) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2020198 0.73 TSHR (0.39) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL2020754 0.70 KAT2B (0.32) CRHR1
SCHEMBL2020839 0.68 ESR2 (0.40) MEN1KMT2A
SCHEMBL2020762 0.68 PTGDR2 (0.42) L3MBTL1LMNACRHR1
SCHEMBL2892838 0.68 CASR (0.56) TRPM8CASRAOC3L3MBTL1

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 5 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 claimed
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

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 TRPM8 1175/4885CASR 1610/4885AOC3 936/4885

“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.