SCHEMBL13363267

SCHEMBL13363267

Cc1ccc2nc(Nc3cc(OCCN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.54
▸ ACHE P22303 2/20 0.44
▸ AXL P30530 1/20 0.44
▸ SRC P12931 11/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ YES1 P07947 3/20 0.42
▸ KDR P35968 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ PDGFRB P09619 3/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ RET P07949 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL1572062 0.87 BRAF (0.53) BRAFAXLSRCMAP4K3MAP4K1
SCHEMBL1571160 0.85 BRAF (0.51) BRAFAXLSRCMAP4K3MAP4K1
SCHEMBL13573972 0.85 MAP4K1 (0.44) BRAFACHEMAP4K3MAP4K1SYK
SCHEMBL13251922 0.84 BRAF (0.44) BRAFAXLSRCMAP4K3MAP4K1
SCHEMBL13573976 0.84 MAP4K1 (0.44) BRAFACHEMAP4K3MAP4K1SYK
SCHEMBL13363037 0.82 MAP4K1 (0.41) MAP4K3MAP4K1KDRJAK1TYK2
SCHEMBL13363036 0.82 BRAF (0.42) BRAFMAP4K3MAP4K1KDRSYK
SCHEMBL13363015 0.82 BRAF (0.40) BRAFMAP4K3MAP4K1KDRFGFR1
SCHEMBL13363019 0.80 GSK3B (0.40) BRAFMAP4K3MAP4K1RAF1
SCHEMBL13362656 0.80 MAP4K1 (0.44) MAP4K3MAP4K1BRD4SYK

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-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885ACHE 4841/4885AXL 4555/4885

“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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