SCHEMBL2016204

SCHEMBL2016204

CCC(c1ccccc1)N(C)c1nnc(-c2c(C)cc(C)cc2C)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.35
EGFR P00533 2/20 0.34
CSF1R P07333 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TACR1 P25103 4/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN8A Q9UQD0 1/20 0.31

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
SCHEMBL2023235 0.92 CRHR1 (0.35) CRHR1EGFRCSF1RSLC6A2SLC6A4
SCHEMBL2019395 0.85 EGFR (0.38) CRHR1EGFRCSF1RSLC6A2SLC6A4
SCHEMBL2017301 0.85 EGFR (0.38) CRHR1EGFRCSF1RSLC6A2SLC6A4
SCHEMBL2016507 0.85 EGFR (0.38) CRHR1EGFRCSF1RSLC6A2SLC6A4
SCHEMBL2020754 0.83 KAT2B (0.32) CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL12574531 0.79 ESR2 (0.39) CRHR1EGFRCSF1R
SCHEMBL2016765 0.77 GABRA1 (0.46) CRHR1EGFRCSF1RHPGD
SCHEMBL2019659 0.76 CRHR1 (0.51) CRHR1
SCHEMBL2046515 0.75 CRHR1 (0.46) CRHR1EGFRCSF1R
SCHEMBL2020919 0.74 EGFR (0.39) EGFRCSF1RNPSR1

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 CRHR1 2714/4885EGFR 615/4885CSF1R 1219/4885

“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.