SCHEMBL13412331

SCHEMBL13412331

Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)C(C)C)c(C)c34)ccc2[nH]1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.91
▸ FGFR1 P11362 5/20 0.91
▸ CYP2D6 P10635 3/20 0.91
▸ CYP2C9 P11712 3/20 0.91
▸ CYP2C19 P33261 3/20 0.91
▸ STK10 O94804 2/20 0.91
▸ MAP4K4 O95819 2/20 0.91
▸ RET P07949 2/20 0.91
▸ PDGFRB P09619 2/20 0.91
▸ DDR1 Q08345 2/20 0.91
▸ SLK Q9H2G2 2/20 0.91
▸ NUAK2 Q9H093 1/20 0.91
▸ CYP1A2 P05177 2/20 0.84
▸ KDR P35968 16/20 0.77
▸ KCNH2 Q12809 3/20 0.77
▸ EPHB6 O15197 1/20 0.77
▸ RIPK2 O43353 1/20 0.77
▸ ABL1 P00519 1/20 0.77
▸ EGFR P00533 1/20 0.77
▸ LCK P06239 1/20 0.77

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
Brivanib Alaninate SCHEMBL28365380 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL29355920 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL13108648 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL2263525 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL18319845 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL29665039 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL483382 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
Brivanib Alaninate SCHEMBL15971686 0.95 CYP3A4 (1.00) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
SCHEMBL25448496 0.92 CYP3A4 (0.83) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19
SCHEMBL25450292 0.92 CYP3A4 (0.83) CYP3A4FGFR1CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671199-B2 Process for the preparation of [(1R), 2S]-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2, 1-F][1,2,4]triazin-6-yloxy]-1-methylethyl ester BRITSOL-MYERS SQUIBB COMPANY (US) 2010-03-02 — — US disclosed
US-20070249610-A1 PROCESS FOR THE PREPARATION OF [(1R), 2S]-2-AMINOPROPIONIC ACID 2-[4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLO[2,1-f][1,2,4]TRIAZIN-6-YLOXY]-1-METHYLETHYL ESTER BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — 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 (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-20070249610-A1 PROCESS FOR THE PREPARATION OF [(1R), 2S]-2-AMINOPROPIONIC ACID 2-[4-(4-FLUORO-2-METHYL-1H-INDOL-5-YLOXY)-5-METHYLPYRROLO[2,1-f][1,2,4]TRIAZIN-6-YLOXY]-1-METHYLETHYL ESTER ALDH7A1, MAT1A, IMPDH1 CYP3A4 105/4885FGFR1 340/4885CYP2D6 457/4885

“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.

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