SCHEMBL17658738

SCHEMBL17658738

[2H]c1c(Oc2c([2H])c([2H])c([2H])c(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)c2[2H])nc(N([2H])[2H])nc1N([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.39
▸ KDR P35968 7/20 0.37
▸ FLT1 P17948 4/20 0.37
▸ ADCY1 Q08828 3/20 0.35
▸ ADCY8 P40145 2/20 0.34
▸ PDGFRB P09619 2/20 0.33
▸ KIT P10721 2/20 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
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 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
SCHEMBL17658740 0.83 GSK3B (0.47) GSK3BKDRFLT1ADCY1ADCY8
SCHEMBL627855 0.77 GSK3B (0.51) GSK3BKDRFLT1ADCY1ADCY8
SCHEMBL12336259 0.76 GSK3B (0.45) GSK3BKDRFLT1ADCY1PDGFRB
SCHEMBL12336275 0.72 KDR (0.51) GSK3BKDRFLT1ADCY1ADCY8
SCHEMBL17662111 0.71 GSK3B (0.43) GSK3BKDRFLT1ADCY1PDGFRB
SCHEMBL14949499 0.70 PDGFRB (0.44) GSK3BKDRFLT1ADCY1PDGFRB
SCHEMBL12336297 0.69 KDR (0.59) GSK3BKDRFLT1PDGFRBKIT
SCHEMBL626404 0.68 PDGFRB (0.65) GSK3BKDRFLT1ADCY1ADCY8
SCHEMBL17661758 0.68 LMNA (0.47) GSK3BKDRFLT1PDGFRBKIT
SCHEMBL12336273 0.68 PDGFRB (0.57) GSK3BKDRFLT1ADCY1PDGFRB

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 GSK3B 581/4885KDR 533/4885FLT1 977/4885

“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.

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