SCHEMBL2263391

SCHEMBL2263391

O=c1nc2ccccc2nc2nnccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
EGFR P00533 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.32
AHR P35869 1/20 0.32
GPR3 P46089 2/20 0.32
KDM4E B2RXH2 5/20 0.32
GAA P10253 3/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PDPK1 O15530 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8967704 0.76 CYP3A4 (0.46) PLAURMAPTNPC1RAB9AHTT
SCHEMBL2338687 0.71 TDP1 (0.38) PLAURMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2360699 0.69 PLAUR (0.59) PLAURMAPTSMN1; SMN2RAB9AHTT
SCHEMBL18099793 0.68 KDM4E (0.53) MAPTSMN1; SMN2NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL22748626 0.67 PLAUR (0.57) PLAURMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1650848 0.67 PLAUR (0.47) PLAURMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11278490 0.66 EGFR (0.46) PLAURMAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5336924 0.66 PLAUR (0.46) PLAURSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1014701 0.64 GPR3 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL2693525 0.64 HCAR2 (0.42) PLAURMAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994160-B2 Pyridazine compounds as glycogen synthase kinase 3 inhibitors ABBOTT GMBH & CO. KG (DE) 2011-08-09 US disclosed
US-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors ABBOTT GMBH & CO. KG (DE) 2009-12-31 US disclosed
EP-1902055-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS Abbott GmbH & Co. KG (DE) 2008-03-26 EP disclosed
WO-2007006566-A1 PYRIDAZINE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2007-01-18 WO 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-20090325937-A1 Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 PLAUR 3790/4885MAPT 2770/4885SMN1; SMN2 2972/4885

“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.