SCHEMBL17658740

SCHEMBL17658740

[2H]N([2H])c1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)nc(N([2H])[2H])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.47
▸ PDGFRB P09619 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ CDK11B P21127 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CDKL2 Q92772 1/20 0.44
▸ KDR P35968 7/20 0.40
▸ FLT1 P17948 3/20 0.40
▸ BRAF P15056 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ ADCY1 Q08828 2/20 0.38
▸ ADCY8 P40145 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ APP P05067 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL627855 0.92 GSK3B (0.51) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336259 0.84 GSK3B (0.45) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL17658738 0.83 GSK3B (0.39) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336275 0.83 KDR (0.51) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL626404 0.82 PDGFRB (0.65) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL12336297 0.82 KDR (0.59) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL3531460 0.79 GSK3B (0.46) GSK3BMEN1NPC1TP53MAPK1
SCHEMBL12057527 0.79 NPC1 (0.47) GSK3BKDRFLT1MEN1NPC1
SCHEMBL12336240 0.78 GSK3B (0.60) GSK3BKDRFLT1BRAFMAPK14
SCHEMBL12336253 0.77 GSK3B (0.51) GSK3BKDRFLT1BRAFMAPK14

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 581/4885PDGFRB 497/4885KIT 540/4885

“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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