SCHEMBL11965886

SCHEMBL11965886

COC(=O)c1cc2c(F)c(Oc3ncnn4cc(OC(=O)C(C)(C)C)c(C)c34)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.64
▸ CYP3A4 P08684 12/20 0.55
▸ FGFR1 P11362 5/20 0.55
▸ KCNH2 Q12809 3/20 0.55
▸ STK10 O94804 2/20 0.55
▸ MAP4K4 O95819 2/20 0.55
▸ RET P07949 2/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ DDR1 Q08345 2/20 0.55
▸ SLK Q9H2G2 2/20 0.55
▸ EPHB6 O15197 1/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ CSF1R P07333 1/20 0.55
▸ HCK P08631 1/20 0.55
▸ KIT P10721 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ PDGFRA P16234 1/20 0.55

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
SCHEMBL13412328 0.89 KDR (0.70) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL11966357 0.85 KDR (0.77) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227590 0.74 KDR (0.75) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL17377931 0.74 KDR (0.66) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227092 0.74 KDR (0.73) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1226894 0.73 KDR (0.83) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227648 0.73 KDR (0.75) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL4047358 0.72 MET (0.47) —
SCHEMBL1226645 0.72 KDR (0.76) KDRCYP3A4FGFR1KCNH2STK10
SCHEMBL1227392 0.72 KDR (0.75) KDRCYP3A4FGFR1KCNH2STK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778893-B2 (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-15 — — US disclosed
US-20120196814-A1 (R)-1-(4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLO[2,1-f][1,2,4]TRIAZIN-6-YLOXY)PROPAN-2-OL METABOLITES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 — — US disclosed
WO-2011044019-A1 (R)-1-(4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLO[2,1-f][1,2,4]TRIAZIN-6-YLOXY)PROPAN-2-OL METABOLITES BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — 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 (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-20120196814-A1 (R)-1-(4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLO[2,1-f][1,2,4]TRIAZIN-6-YLOXY)PROPAN-2-OL METABOLITES CYP11B1, CYP11B2, CYP4B1 KDR 1649/4885CYP3A4 13/4885FGFR1 431/4885

“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.

Send feedback