SCHEMBL2019614

SCHEMBL2019614

Cc1cccc(C)c1-c1nnc(OC2CCCc3ccccc32)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
SLC6A4 P31645 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NOX1 Q9Y5S8 1/20 0.36
CD38 P28907 2/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
GID4 Q8IVV7 1/20 0.34

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
SCHEMBL2022299 0.74 ALDH1A1 (0.40) IDO1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL12574543 0.74 ALDH1A1 (0.40) IDO1TAS1R3TAS1R1TAS1R2CD38
SCHEMBL31180243 0.68 IDO1 (0.55) IDO1SLC6A4GPR84SLC6A2SLC6A3
SCHEMBL31180274 0.68 IDO1 (0.55) IDO1SLC6A4GPR84SLC6A2SLC6A3
SCHEMBL24265408 0.68 IDO1 (0.51) IDO1SLC6A4TAS1R3TAS1R1TAS1R2
SCHEMBL2020971 0.68 NPSR1 (0.41) POLBNPSR1LMNA
SCHEMBL2019705 0.67 NPSR1 (0.37) NPSR1LMNA
SCHEMBL12574588 0.67 KMT2A (0.39) NPSR1LMNA
SCHEMBL7834166 0.66 IDO1 (0.46) IDO1SLC6A4GPR84FFAR1
SCHEMBL17319346 0.66 IDO1 (0.64) IDO1SLC6A4GPR84SLC6A2SLC6A3

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 IDO1 79/4885SLC6A4 2280/4885TAS1R3 2759/4885

“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.