SCHEMBL2017409

SCHEMBL2017409

CCCN(CC1CC1)c1nnc(-c2c(CC)cccc2CC)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.42
PLK1 P53350 1/20 0.36
S1PR1 P21453 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL2018900 0.87 CRHR1 (0.47) CRHR1PLK1MEN1NR1I2GMNN
SCHEMBL2015796 0.83 CRHR1 (0.57) CRHR1
SCHEMBL2020171 0.81 CRHR1 (0.45) CRHR1PLK1MEN1NR1I2GMNN
SCHEMBL2016941 0.80 CRHR1 (0.47) CRHR1PLK1
SCHEMBL2022808 0.79 CRHR1 (0.51) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL2022093 0.76 S1PR1 (0.46) CRHR1PLK1S1PR1
SCHEMBL2015228 0.75 CRHR1 (0.43) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL6963411 0.73 CRHR1 (0.51) CRHR1
SCHEMBL2016675 0.73 CRHR1 (0.49) CRHR1MEN1LMNAKMT2A
SCHEMBL2022615 0.71 PLK1 (0.40) CRHR1PLK1S1PR1

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 CRHR1 2714/4885PLK1 3843/4885S1PR1 794/4885

“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.