SCHEMBL29795378

SCHEMBL29795378

Clc1nc(NCc2ccccc2Cl)c2cn[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.57
PLK4 O00444 4/20 0.56
PAK4 O96013 4/20 0.56
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
PDE5A O76074 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
APP P05067 1/20 0.43
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CLK2 P49760 1/20 0.41
PRKX P51817 1/20 0.41
CAMK2D Q13557 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL24645842 1.00 PDE2A (0.57) PDE2APLK4PAK4ALDH1A1POLB
SCHEMBL17443015 0.83 APP (0.62) PLK4PAK4ALDH1A1PDE5ALMNA
SCHEMBL17933800 0.77 SGK1 (0.51) PDE2APLK4PAK4PDE5ALMNA
SCHEMBL17009449 0.76 POLB (0.65) ALDH1A1POLBPDE5AHSD17B10LMNA
SCHEMBL30861057 0.75 PLK4 (0.54) PDE2APLK4PAK4ALDH1A1LMNA
SCHEMBL27227932 0.75 PLK4 (0.54) PDE2APLK4PAK4ALDH1A1LMNA
SCHEMBL22904675 0.73 PDE2A (0.60) PDE2APLK4PAK4PDE5ALMNA
SCHEMBL17933806 0.73 PLK4 (0.41) PDE2APLK4PAK4ALDH1A1POLB
SCHEMBL20209844 0.73 PLK4 (0.57) PDE2APLK4PAK4POLBPDE5A
SCHEMBL13896217 0.73 MAPK1 (0.59) PDE2APLK4PAK4HTTCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259253-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. 2022-08-18 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-20220259253-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 PDE2A 224/4885PLK4 3744/4885PAK4 2202/4885

“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.