SCHEMBL3428892

SCHEMBL3428892

COc1nnc(-c2ccncc2)cc1-c1cc2ccc(CN3CCCCC3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.44
ACHE P22303 1/20 0.44
CDK7 P50613 1/20 0.41
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL3422569 0.83 CLK1 (0.38) DYRK1A
SCHEMBL3421275 0.81 CHEK1 (0.43) CHEK1ACHECDK7MCHR1
SCHEMBL1750176 0.80 CHEK1 (0.54) CHEK1ACHECDK7CLK2CLK3
SCHEMBL3424578 0.80 CHEK1 (0.54) CHEK1ACHECDK7CLK2CLK3
SCHEMBL3428325 0.79 CHEK1 (0.42) CHEK1ACHECDK7MCHR1
SCHEMBL1750700 0.78 CHEK1 (0.52) CHEK1ACHECLK2CLK3DYRK1A
SCHEMBL5567692 0.77 PARP1 (0.36) CHEK1ACHEMCHR1
SCHEMBL3424207 0.74 EIF4A3 (0.37) CHEK1
SCHEMBL3427791 0.73 PARP1 (0.39) CHEK1ACHE
SCHEMBL1751633 0.73 NR1H2 (0.38) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK CHEK1 242/4885ACHE 1081/4885CDK7 230/4885

“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.