SCHEMBL1754697

SCHEMBL1754697

CCCCCCc1nnc(-c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
HSD11B1 P28845 2/20 0.46
GPR84 Q9NQS5 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GCGR P47871 1/20 0.42
TLR8 Q9NR97 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SOAT1 P35610 3/20 0.39
SOAT2 O75908 2/20 0.39
GSK3A P49840 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14069214 0.76 SMARCA2 (0.46) CNR1MAPTSMN1; SMN2GSK3AKDM4E
SCHEMBL1752888 0.75 ACHE (0.58) CNR1TLR8MAPTSMN1; SMN2SOAT1
SCHEMBL1752878 0.73 KCNH2 (0.40) HSD11B1GPR84TLR8TSHRMAPT
SCHEMBL1753128 0.72 LMNA (0.46) CNR1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL15068306 0.72 GCGR (0.53) DHFRHSD11B1GPR84GCGRSOAT1
SCHEMBL15068263 0.72 GCGR (0.53) DHFRHSD11B1GPR84GCGRSOAT1
SCHEMBL10619914 0.71 HSD11B1 (0.67) HSD11B1GPR84MAPTSMN1; SMN2KDM4E
SCHEMBL17144895 0.71 HSD11B1 (0.50) HSD11B1GPR84TLR8MAPTTP53
SCHEMBL11736750 0.71 DHFR (0.50) DHFRHSD11B1GPR84GCGRTLR8
SCHEMBL23205340 0.70 RAB9A (0.52) CNR1MAPTTP53SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 US disclosed
US-8158627-B2 Compositions and treatments using pyridazine compounds and cholinesterase inhibitors NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS NORTHWESTERN UNIVERSITY (US) 2010-08-19 US disclosed
US-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods UNIVERSITE DE STRASBOURG (FR) 2008-12-25 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 (5 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-20090197885-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 DHFR 344/4885HSD11B1 2042/4885GPR84 590/4885
US-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 DHFR 344/4885HSD11B1 2042/4885GPR84 590/4885
US-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 DHFR 299/4885HSD11B1 2438/4885GPR84 1035/4885
US-20120245125-A1 PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS PSEN1, PSEN2, APP DHFR 259/4885HSD11B1 2137/4885GPR84 1354/4885
US-20100210590-A1 COMPOSITIONS AND TREATMENTS FOR SEIZURE-RELATED DISORDERS C5, PNPO, CHRNA5 DHFR 323/4885HSD11B1 2112/4885GPR84 1192/4885

“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.