SCHEMBL4391803

SCHEMBL4391803

Cc1cnc(NC(=O)c2ccc(F)c(F)c2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.58
KCNQ2 O43526 11/20 0.58
KCNQ5 Q9NR82 3/20 0.53
KCNE1 P15382 4/20 0.51
KCNQ1 P51787 4/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.46
ADCY1 Q08828 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL5338732 0.75 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL4399143 0.74 RAB9A (0.74) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL5213301 0.73 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516648 0.72 KCNQ3 (0.78) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL12199271 0.70 CCNE2 (0.44) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL8361564 0.70 NPC1 (0.68) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5343768 0.70 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14339872 0.70 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL30147734 0.68 CES2 (0.59) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL531941 0.68 CES2 (0.59) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1

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
US-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2009-12-10 US disclosed
EP-1931662-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY AstraZeneca AB (SE) 2008-06-18 EP disclosed
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 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-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 KCNQ3 4772/4885KCNQ2 4687/4885KCNQ5 4722/4885

“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.