SCHEMBL2020762

SCHEMBL2020762

COc1ccc(Cl)cc1-c1nnc(N(C)C(C)c2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.37
CTSA P10619 3/20 0.36
CRHR1 P34998 4/20 0.36
LRRK2 Q5S007 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 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
SCHEMBL2020407 0.81 CRHR1 (0.43) ALDH1A1L3MBTL1CRHR1SMN1; SMN2MAPT
SCHEMBL12574499 0.81 CRHR1 (0.43) ALDH1A1L3MBTL1CRHR1SMN1; SMN2MAPT
SCHEMBL2017361 0.79 SMO (0.38) ALDH1A1L3MBTL1NPSR1CRHR1MAPT
SCHEMBL2020935 0.76 L3MBTL1 (0.50) ALDH1A1L3MBTL1NPSR1CRHR1LMNA
SCHEMBL2020198 0.75 TSHR (0.39) ALDH1A1NPSR1HPGDSMN1; SMN2LMNA
SCHEMBL2019377 0.74 MAPK11 (0.41) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2047017 0.74 GBA1 (0.38) LMNAMAPT
SCHEMBL2017529 0.73 CRHR1 (0.42) ALDH1A1L3MBTL1NPSR1CRHR1HPGD
SCHEMBL2019914 0.72 ESR2 (0.40) ALDH1A1MAPTALOX12
SCHEMBL2021107 0.72 ESR2 (0.40) ALDH1A1MAPTALOX12

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 6 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-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 PTGDR2 372/4885ALDH1A1 403/4885L3MBTL1 4411/4885

“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.