SCHEMBL2020683

SCHEMBL2020683

CCC1c2ccccc2CCN1c1nnc(-c2ccc(OC)cc2OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRHR1 P34998 1/20 0.40
DRD1 P21728 3/20 0.40
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MAOB P27338 1/20 0.36
KDR P35968 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA2D1 P54289 1/20 0.36
POLB P06746 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
SCHEMBL2016584 0.79 DRD2 (0.37) NPSR1KMT2AMEN1SMN1; SMN2DRD1
SCHEMBL2021174 0.78 ALDH1A1 (0.36) KMT2ASLC6A4ALDH1A1POLB
SCHEMBL2021655 0.77 MEN1 (0.37) NPSR1KMT2AMEN1SMN1; SMN2CRHR1
SCHEMBL2024183 0.72 DRD2 (0.36) NPSR1KMT2AMEN1SMN1; SMN2DRD1
SCHEMBL2022226 0.72 SMO (0.42) NPSR1KMT2AMEN1SMN1; SMN2CRHR1
SCHEMBL2026559 0.72 SMO (0.36) NPSR1KMT2AMEN1SLC6A4HTT
SCHEMBL2014674 0.70 CRHR1 (0.40) KMT2ACRHR1DRD1MAOBDRD2
SCHEMBL2022253 0.70 CYP1A2 (0.35) NPSR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL2017286 0.69 MEN1 (0.36) NPSR1KMT2AMEN1SMN1; SMN2CRHR1
SCHEMBL7810515 0.69 KDM4E (0.39) DRD1KDM4EALDH1A1MAPTHTT

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

“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.