SCHEMBL2016015

SCHEMBL2016015

Cc1cc(C)c(-c2nnc(N3CCc4ccccc4C3C3CC3)c3ccccc23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
MAPK1 P28482 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SMO Q99835 1/20 0.33
TSHR P16473 3/20 0.33
PARP1 P09874 1/20 0.33
USP2 O75604 1/20 0.33
PRCP P42785 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2019705 0.92 NPSR1 (0.37) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2015921 0.86 KMT2A (0.40) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2021655 0.83 MEN1 (0.37) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2019540 0.82 ESR1 (0.42) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2017286 0.82 MEN1 (0.36) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2015235 0.78 NPSR1 (0.40) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2019184 0.78 SMO (0.38) ESR1ESR2SMOPARP1
SCHEMBL12574588 0.77 KMT2A (0.39) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2014677 0.75 GRIN2D (0.47) MEN1KMT2ANPSR1MAPK1HTT
SCHEMBL2015297 0.75 MAOA (0.42) MEN1KMT2ANPSR1HTTMAPT

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 MEN1 1832/4885KMT2A 2091/4885NPSR1 1138/4885

“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.