SCHEMBL5606908

SCHEMBL5606908

CONC(=O)c1cc(Nc2ncnn3cc(C(=O)NCCN4CCCC4)c(C(C)C)c23)ccc1C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.72
MAPK14 Q16539 4/20 0.59
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52

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
SCHEMBL5606094 0.85 KDR (0.80) KDRMAPK14
SCHEMBL5605857 0.85 KDR (0.82) KDRMAPK14FLT1FLT4
SCHEMBL5605837 0.85 KDR (0.81) KDRMAPK14FLT1FLT4
SCHEMBL5605860 0.83 KDR (1.00) KDRMAPK14FLT1FLT4
SCHEMBL1459922 0.81 KDR (0.90) KDRMAPK14
SCHEMBL4108838 0.80 MAPK14 (0.86) MAPK14
SCHEMBL5596089 0.79 KDR (0.62) KDRMAPK14FLT1FLT4
SCHEMBL5596843 0.76 KDR (0.72) KDRFLT1FLT4
SCHEMBL4044265 0.76 KDR (1.00) KDRMAPK14
SCHEMBL5605639 0.76 KDR (1.00) KDRMAPK14FLT1FLT4

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-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US claimed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
EP-1543009-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US disclosed
US-6951859-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-04 US disclosed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP disclosed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO 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 (2 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-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885MAPK14 332/4885FLT1 2/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KDR 7/4885MAPK14 350/4885FLT1 2/4885

“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.