SCHEMBL4817537

SCHEMBL4817537

Cc1c(C(=O)NCCN2CCOCC2)cn2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.63
KDR P35968 5/20 0.63
MAPK14 Q16539 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL4811241 0.88 MET (0.66) METKDRMAPK14MAP2K1
SCHEMBL4821374 0.84 MET (0.66) METKDR
SCHEMBL4817576 0.83 MET (0.63) METKDR
SCHEMBL4813699 0.83 MET (0.80) METKDRMAPK14
SCHEMBL4818955 0.81 MET (0.69) METKDRMAPK14
SCHEMBL4562866 0.79 KDR (0.54) METKDRMAPK14MAP2K1
SCHEMBL3571857 0.78 LMNA (0.56) METKDRLMNASMN1; SMN2
SCHEMBL4046682 0.76 MET (0.65) METKDR
SCHEMBL4052565 0.75 MET (0.56) METKDR
SCHEMBL4817737 0.75 MET (0.49) 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 MET 721/4885KDR 821/4885MAPK14 205/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885KDR 1746/4885MAPK14 273/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885KDR 821/4885MAPK14 205/4885

“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.