SCHEMBL4089465

SCHEMBL4089465

Clc1nc(NCc2ccccn2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.69
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
TSHR P16473 1/20 0.69
JAK2 O60674 1/20 0.67
IGF1R P08069 1/20 0.67
PIM1 P11309 1/20 0.67
SRC P12931 1/20 0.67
CSNK2A2 P19784 1/20 0.67
KCNA5 P22460 1/20 0.67
JAK1 P23458 1/20 0.67
CCNE1 P24864 1/20 0.67
CDK2 P24941 1/20 0.67
TYK2 P29597 1/20 0.67
FLT4 P35916 1/20 0.67
FLT3 P36888 1/20 0.67
MAP3K8 P41279 1/20 0.67
CSNK1A1 P48729 1/20 0.67
GSK3B P49841 1/20 0.67
JAK3 P52333 1/20 0.67

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
SCHEMBL17799807 0.86 APP (0.68) PDE5AHTTLMNATSHRJAK2
SCHEMBL29950486 0.85 PDE5A (0.62) PDE5AHTTLMNATSHRJAK2
SCHEMBL28889771 0.85 PDE5A (0.62) PDE5AHTTLMNATSHRJAK2
SCHEMBL1062608 0.82 PDE5A (1.00) PDE5AHTTLMNATSHRJAK2
SCHEMBL1502581 0.81 KCNA5 (1.00) JAK2IGF1RPIM1SRCCSNK2A2
Ammonia Solution, Strong SCHEMBL27875823 0.81 KCNA5 (1.00) JAK2IGF1RPIM1SRCCSNK2A2
SCHEMBL3113122 0.80 APP (1.00) PDE5AHTTLMNATSHRAPP
SCHEMBL29388255 0.80 APP (1.00) PDE5AHTTLMNATSHRAPP
SCHEMBL27301839 0.80 JAK2 (0.52) PDE5AHTTLMNATSHRJAK2
SCHEMBL31620249 0.80 PGK1 (0.64) HTTLMNATSHRJAK2IGF1R

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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R PDE5A 2042/4885HTT 907/4885LMNA 2850/4885

“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.