SCHEMBL2021189

SCHEMBL2021189

CCCC(c1ccccc1)N(C)c1nnc(-c2ccc(OC)cc2OC)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.50
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12574499 0.86 CRHR1 (0.43) CRHR1ADORA2AADORA1KDM4EMEN1
SCHEMBL2020407 0.86 CRHR1 (0.43) CRHR1ADORA2AADORA1KDM4EMEN1
SCHEMBL2018297 0.82 CRHR1 (0.42) CRHR1ADORA2AADORA1KDM4EMEN1
SCHEMBL2023146 0.78 ESR2 (0.36) CRHR1MEN1KMT2A
SCHEMBL2018662 0.75 CRHR1 (0.58) CRHR1
SCHEMBL2023235 0.75 CRHR1 (0.35) CRHR1
SCHEMBL12574531 0.70 ESR2 (0.39) CRHR1MEN1KMT2A
SCHEMBL7912186 0.69 MAPT (0.55) MEN1KMT2A
SCHEMBL2020762 0.69 PTGDR2 (0.42) CRHR1
SCHEMBL7914911 0.66 MEN1 (0.52) KDM4EMEN1KMT2A

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 2714/4885ADORA2A 1940/4885ADORA1 1626/4885

“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.