SCHEMBL3064869

SCHEMBL3064869

Cc1cn(-c2ccc(Cl)cc2)nc1-c1c(O)cnn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BRD4 O60885 3/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
CREBBP Q92793 3/20 0.35
GRM1 Q13255 1/20 0.34

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
SCHEMBL3063527 0.85 CTSS (0.36) BRD4BRD2BRD3CREBBPADORA3
SCHEMBL3064875 0.73 SRC (0.35) CA12CA1CA2CA9ADORA3
SCHEMBL512819 0.71 ITGB1 (0.39) BRD4ITGB1ITGA4ITGB7PTGS2
SCHEMBL7859575 0.70 CNR1 (0.54) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL3061674 0.70 PDE10A (0.38) RAB9AALDH1A1ADORA3ITGA4ITGB7
SCHEMBL7095866 0.70 KDM4E (0.50) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL16202074 0.68 CNR1 (0.47) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL11903442 0.68 MAPT (0.44) KDM4EMAPTALDH1A1ITGB1ITGA4
SCHEMBL3662000 0.68 CTSS (0.36) ADORA3ITGB1ITGA4ITGB7
SCHEMBL11910054 0.66 F7 (0.44) RAB9AKDM4EMAPTGAANFKB1

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
EP-2225211-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES DU PONT (US) 2013-10-02 EP disclosed
US-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
EP-2225211-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-08 EP disclosed
WO-2009086041-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 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-20100267561-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES CYP1A1, CYP1B1, CBR3 NPC1 4290/4885RAB9A 3035/4885KDM4E 2379/4885

“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.