SCHEMBL5041825

SCHEMBL5041825

O=c1cc2c(n[nH]1)-c1ccccc1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.53
MAPK9 P45984 2/20 0.53
MAPK10 P53779 1/20 0.53
PDE3A Q14432 2/20 0.52
PDE3B Q13370 1/20 0.52
GSR P00390 2/20 0.49
KDM4E B2RXH2 3/20 0.47
TP53 P04637 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
MAPT P10636 3/20 0.47
CYP2C9 P11712 3/20 0.47
PKM P14618 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C19 P33261 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL4983802 0.86 GSR (0.51) MAPK8MAPK9MAPK10PDE3APDE3B
SCHEMBL467920 0.83 CYP2A6 (0.49) MAPK8MAPK9MAPK10PDE3APDE3B
SCHEMBL10341518 0.79 PDE3B (0.55) PDE3APDE3BKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7347426 0.78 PDE3B (0.54) PDE3APDE3BKDM4EMAPTSMN1; SMN2
SCHEMBL9780123 0.78 ALDH1A1 (0.51) PDE3AKDM4ETP53MAPTPKM
SCHEMBL10341511 0.75 PDE3B (0.52) PDE3APDE3BKDM4ETP53CYP3A4
SCHEMBL9780139 0.74 HPGD (0.40) MAPK8MAPK9MAPK10PDE3APDE3B
SCHEMBL9780137 0.74 PDE3A (0.40) PDE3APDE3BTP53MAPTMEN1
SCHEMBL7287593 0.73 PDE3A (0.42) PDE3APDE3BGSRTP53MAPT
SCHEMBL7320420 0.72 PDE3A (0.72) PDE3APDE3BKDM4EMAPTSMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663493-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-9527819-B2 Pyridazine compounds, compositions and methods NORTHWESTERN UNIVERSITY 2016-12-27 US disclosed
US-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2016-11-10 US disclosed
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS NORTHWESTERN UNIVERSITY (US) 2015-06-25 US disclosed
EP-2592075-B1 PYRIDAZINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2015-04-29 EP disclosed
US-8933076-B2 Pyridazine compounds, compositions and methods CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-01-13 US disclosed
EP-1812408-B1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIV NORTHWESTERN (US) 2013-10-09 EP disclosed
EP-2592075-A1 Pyridazine compounds for the treatment of inflammatory diseases Northwestern University (US) 2013-05-15 EP disclosed
US-8367672-B2 Pyridazine compounds, compositions and methods UNIVERSITE DE STRASBOURG (FR) 2013-02-05 US disclosed
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITE LOUIS PASTEUR DE STRASBOURG (FR) 2012-09-27 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 US disclosed
EP-0181145-B1 HETEROCYCLIC COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 EP disclosed
US-4755511-A Tricyclic pyridazinone compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-07-05 US disclosed
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP 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 (4 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-20160326139-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MAPK8 275/4885MAPK9 375/4885MAPK10 595/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 MAPK8 165/4885MAPK9 243/4885MAPK10 398/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MAPK8 265/4885MAPK9 358/4885MAPK10 590/4885
US-20150175555-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP MAPK8 275/4885MAPK9 375/4885MAPK10 595/4885

“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.