SCHEMBL4813333

SCHEMBL4813333

Nc1ccc(Oc2ncnn3cc(-c4cccnc4)cc23)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.42
MET P08581 8/20 0.38
AXL P30530 3/20 0.38
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ROCK2 O75116 2/20 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
SCHEMBL12406074 0.88 MAP4K4 (0.44) MAP4K4METAXL
SCHEMBL4811206 0.87 MAP4K4 (0.47) MAP4K4METAXL
SCHEMBL16863392 0.83 AXL (0.47) METAXLMEN1PSIP1MKNK1
SCHEMBL4817072 0.79 MET (0.59) METAXL
SCHEMBL12406060 0.78 KDR (0.39) MET
SCHEMBL6328515 0.78 MET (0.41) METAXLROCK2
SCHEMBL4817071 0.77 MET (0.47) METAXL
SCHEMBL4820645 0.76 MAP4K4 (0.42) MAP4K4AXL
SCHEMBL4818237 0.76 MAP4K4 (0.48) MAP4K4METAXL
SCHEMBL4817075 0.74 MET (0.65) MET

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885MET 721/4885AXL 452/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MAP4K4 28/4885MET 2109/4885AXL 880/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MAP4K4 24/4885MET 721/4885AXL 452/4885

“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.