SCHEMBL2017361

SCHEMBL2017361

CC(c1ccccc1)N(C)c1nnc(-c2ccccc2Cl)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.38
CRHR1 P34998 1/20 0.36
TSPO P30536 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NR1I3 Q14994 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
P2RX7 Q99572 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
SCHEMBL2020198 0.85 TSHR (0.39) SMOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL2019377 0.84 MAPK11 (0.41) ALDH1A1MAPT
SCHEMBL2047017 0.84 GBA1 (0.38) KMT2AMEN1MAPT
SCHEMBL2053954 0.81 CYP1A2 (0.43) KMT2AMEN1CYP3A4CYP2C9TSHR
SCHEMBL2020762 0.79 PTGDR2 (0.42) CRHR1ALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL2020919 0.77 EGFR (0.39) KMT2AMEN1TSHRNPSR1
SCHEMBL2019914 0.77 ESR2 (0.40) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2021107 0.77 ESR2 (0.40) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2020839 0.77 ESR2 (0.40) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2017301 0.75 EGFR (0.38) CRHR1

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 SMO 1379/4885CRHR1 2714/4885TSPO 3769/4885

“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.