SCHEMBL2014677

SCHEMBL2014677

Cc1cc(C)c(-c2nnc(N3CCc4ccccc4C3)c3ccccc23)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.47
GRIN3B O60391 6/20 0.47
GRIN1 Q05586 6/20 0.47
GRIN2A Q12879 6/20 0.47
GRIN2B Q13224 6/20 0.47
GRIN2C Q14957 6/20 0.47
GRIN3A Q8TCU5 6/20 0.47
CHRM1 P11229 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
MAPT P10636 6/20 0.43
HTT P42858 5/20 0.43
NPSR1 Q6W5P4 5/20 0.43
MAPK1 P28482 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43

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
SCHEMBL2018163 0.90 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2018489 0.79 SMO (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2021062 0.78 SMO (0.52) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2015921 0.78 KMT2A (0.40) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2016015 0.75 MEN1 (0.38) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2021655 0.75 MEN1 (0.37) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2017286 0.74 MEN1 (0.36) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2021177 0.73 ALDH1A1 (0.69) MAPTHTTNPSR1MAPK1MEN1
SCHEMBL2015297 0.71 MAOA (0.42) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL10534812 0.69 ALDH1A1 (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 4052/4885GRIN3B 3640/4885GRIN1 3543/4885

“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.