SCHEMBL2444162

SCHEMBL2444162

CC1=C(C(=O)O)C(C)(n2nnc3cccnc32)NC1C=C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.38
▸ FLT3 P36888 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDR P35968 5/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32

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
SCHEMBL2439012 0.71 ALK (0.49) ALKFLT3MEN1KMT2AKDR
SCHEMBL2441251 0.66 ALK (0.58) ALKFLT3MEN1KMT2AKDR
SCHEMBL2439011 0.66 ALK (0.58) ALKFLT3MEN1KMT2AKDR
SCHEMBL5642755 0.65 ALK (0.42) ALKFLT3MEN1KMT2AKDR
SCHEMBL4471270 0.62 ALK (0.47) ALKFLT3MEN1KMT2AKDR
SCHEMBL29638279 0.60 GSK3B (0.71) ALKFLT3MEN1KMT2AKDR
SCHEMBL8099022 0.60 FLT3 (0.53) ALKFLT3MEN1KMT2AKDR
SCHEMBL4862204 0.58 FLT3 (0.57) ALKFLT3MEN1KMT2AKDR
SCHEMBL13712811 0.58 MEN1 (0.61) ALKFLT3MEN1KMT2AKDR
SCHEMBL4862218 0.58 FLT3 (0.57) ALKFLT3MEN1KMT2AKDR

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-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 — — 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-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 ALK 479/4885FLT3 380/4885MEN1 1992/4885

“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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