SCHEMBL17658745

SCHEMBL17658745

COc1nc(N)cc(Oc2ccc(-c3nnc(Cc4cccc(C)c4)[nH]3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.37
SLC2A1 P11166 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 2/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
MAOB P27338 1/20 0.34
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK11B P21127 1/20 0.33
FLT3 P36888 1/20 0.33
CDKL2 Q92772 1/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33

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
SCHEMBL17662102 0.88 PDGFRB (0.45) MPOCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14949696 0.81 PDGFRB (0.41) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949266 0.73 PDGFRB (0.40) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949291 0.73 KIT (0.38) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL14949341 0.72 MEN1 (0.37) CYP1A2CYP2C19PDGFRBKITPDGFRA
SCHEMBL12336300 0.71 PDGFRB (0.55) PDGFRBKITPDGFRACDK11BFLT3
SCHEMBL17658742 0.70 PDGFRB (0.42) MPOLTA4HMAOBPDGFRBKIT
SCHEMBL12348779 0.69 NUDT1 (0.37) CYP1A2GAAPDGFRBKITPDGFRA
SCHEMBL14949258 0.69 PDGFRB (0.43) SLC2A1PDGFRBKITPDGFRACDK11B
SCHEMBL14949274 0.69 PDGFRB (0.41) SLC2A1PDGFRBKITPDGFRACDK11B

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-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 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-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 MPO 4571/4885SLC2A1 4349/4885CYP1A2 4484/4885

“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.