SCHEMBL5005153

SCHEMBL5005153

Clc1cccc(-c2nnccc2-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.48
▸ MAPK11 Q15759 3/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ GCGR P47871 1/20 0.45
▸ KDR P35968 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NOTUM Q6P988 2/20 0.41
▸ FLT3 P36888 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ NUDT1 P36639 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
SCHEMBL29091547 0.76 NOTUM (0.44) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL550283 0.75 NOTUM (0.54) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5005152 0.74 NPC1 (0.45) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5255788 0.74 MAPK14 (0.53) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL5255820 0.73 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12MAPK1
SCHEMBL5223234 0.72 DHFR (0.51) NOTUMADORA2AADORA1NUDT1
SCHEMBL17725848 0.72 MAPK14 (0.50) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL460509 0.72 CSNK1D (0.42) MAPK14MAPK11MAPK1NOTUMADORA2A
SCHEMBL27535145 0.70 MAPK14 (0.54) MAPK14MAPK11MAPK13RAF1MAPK12
SCHEMBL27537465 0.70 MAPT (0.42) MAPK14GCGRMAPK1NOTUMFLT3

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 2 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-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 (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-20080318899-A1 Pyridazine Compounds, Compositions and Methods APP, PSEN1, PSEN2 MAPK14 126/4885MAPK11 186/4885MAPK13 164/4885

“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.

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