SCHEMBL2020171

SCHEMBL2020171

CCCN(CC1CC1)c1nnc(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.45
HTR7 P34969 1/20 0.40
PLK1 P53350 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 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

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
SCHEMBL2016277 0.88 CRHR1 (0.44) CRHR1HTR7MAPTALDH1A1HPGD
SCHEMBL2016941 0.87 CRHR1 (0.47) CRHR1PLK1
SCHEMBL2022093 0.85 S1PR1 (0.46) CRHR1PLK1
SCHEMBL2018900 0.82 CRHR1 (0.47) CRHR1PLK1MEN1NR1I2GMNN
SCHEMBL2017409 0.81 CRHR1 (0.42) CRHR1PLK1MEN1NR1I2GMNN
SCHEMBL2015228 0.79 CRHR1 (0.43) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL2022808 0.79 CRHR1 (0.51) CRHR1ALDH1A1HPGDMEN1NR1I2
SCHEMBL2015796 0.78 CRHR1 (0.57) CRHR1
SCHEMBL2024570 0.78 LMNA (0.48) CRHR1KDM4EMAPTALDH1A1HPGD
SCHEMBL2022615 0.77 PLK1 (0.40) CRHR1PLK1KDM4EMAPTALDH1A1

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 2714/4885HTR7 1242/4885PLK1 3843/4885

“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.