SCHEMBL587878

SCHEMBL587878

O=c1c(Br)nn(CCCCC(F)(F)F)c2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 7/20 0.41
GUCY1B1 Q02153 7/20 0.41
KMO O15229 2/20 0.41
PDE5A O76074 1/20 0.41
KDM4C Q9H3R0 2/20 0.37
PLK1 P53350 1/20 0.36
KCNH2 Q12809 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
DYRK3 O43781 1/20 0.34
PIM1 P11309 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
DYRK1A Q13627 1/20 0.34
NTRK3 Q16288 1/20 0.34
PIM3 Q86V86 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAT2A P31153 1/20 0.34
MAOB P27338 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
SCHEMBL1491875 0.83 CNR2 (0.39) PLK1
SCHEMBL15751962 0.79 SCN5A (0.39) GUCY1A1GUCY1B1KMOPDE5AKDM4C
SCHEMBL1552045 0.69 GRM2 (0.45) GUCY1A1GUCY1B1PDE5AMAPK8CYP2C9
SCHEMBL21413147 0.68 KDM4C (0.41) GUCY1A1GUCY1B1KMOPDE5AKDM4C
SCHEMBL15792111 0.67 KDM4C (0.50) GUCY1A1GUCY1B1KMOPDE5AKDM4C
SCHEMBL6114329 0.66 SLC9A1 (0.45)
SCHEMBL17610151 0.66 KDM4C (0.45) KMOPDE5AKDM4CPLK1MAT2A
SCHEMBL13885733 0.65 CNR2 (0.51)
SCHEMBL14776630 0.65 PDE5A (0.49) GUCY1A1GUCY1B1KMOPDE5A
SCHEMBL19597176 0.64 KDM4C (0.50) KMOKDM4CPLK1DYRK3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US disclosed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 US disclosed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 GUCY1A1 3893/4885GUCY1B1 3147/4885KMO 1532/4885

“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.