SCHEMBL4820650

SCHEMBL4820650

Nc1ccc(Oc2ncnn3ccc(CN4CCOCC4)c23)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.60
NTRK1 P04629 1/20 0.49
AAK1 Q2M2I8 2/20 0.44
AXL P30530 1/20 0.43
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
KDR P35968 2/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL14017670 0.89 MET (0.60) METNTRK1AAK1EGFRERBB2
SCHEMBL4822131 0.89 MET (0.60) METNTRK1AAK1EGFRERBB2
SCHEMBL4819894 0.87 MET (0.62) METNTRK1AAK1EGFRERBB2
SCHEMBL15946933 0.82 MET (0.54) METNTRK1AAK1EGFRERBB2
SCHEMBL4817297 0.82 MET (0.61) METNTRK1AAK1EGFRERBB2
SCHEMBL4821164 0.81 MET (0.54) METNTRK1AAK1EGFRERBB2
SCHEMBL4821156 0.80 MET (0.58) METNTRK1AAK1EGFRERBB2
SCHEMBL4822868 0.79 MET (0.56) METNTRK1AAK1EGFRERBB2
SCHEMBL4811602 0.79 AAK1 (0.63) METNTRK1AAK1EGFRERBB2
SCHEMBL4819522 0.79 MET (0.52) METNTRK1AAK1

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 8 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-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 MET 721/4885NTRK1 599/4885AAK1 204/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885NTRK1 483/4885AAK1 120/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885NTRK1 599/4885AAK1 204/4885

“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.