SCHEMBL16247668

SCHEMBL16247668

Cc1cn(COCC[Si](C)(C)C)c2ccnc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.38
▸ EGFR P00533 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ NOS2 P35228 4/20 0.32
▸ NOS3 P29474 3/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL16247669 0.86 DGAT1 (0.39) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL2888150 0.80 DGAT1 (0.41) DGAT1SRCTEKPDE10ANPC1
SCHEMBL29854683 0.74 DGAT1 (0.38) DGAT1PDE10A
SCHEMBL2693867 0.74 DGAT1 (0.38) DGAT1PDE10A
SCHEMBL20422628 0.74 DGAT1 (0.43) DGAT1PDE10A
SCHEMBL29663834 0.74 DGAT1 (0.43) DGAT1PDE10A
SCHEMBL25302547 0.73 DGAT1 (0.40) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL30295787 0.73 DGAT1 (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL15667407 0.73 DGAT1 (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL29854576 0.72 DGAT1 (0.37) DGAT1EGFRIGF1RSRCFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193210-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160136168-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-05-19 — — US disclosed
US-9108973-B2 3,5-disubstituted alkynylbenzene compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-18 — — US disclosed
US-20140343035-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2014-11-20 — — 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-20160136168-A1 THERAPEUTIC AGENT FOR FGFR INHIBITOR-RESISTANT CANCER FGFR1, FGFR3, FGFR4 DGAT1 1982/4885EGFR 14/4885IGF1R 12/4885
US-20160193210-A1 ANTITUMOR DRUG FOR INTERMITTENT ADMINISTRATION OF FGFR INHIBITOR FGFR1, FGFR3, FGFR2 DGAT1 3331/4885EGFR 31/4885IGF1R 10/4885
US-20140343035-A1 3,5-DISUBSTITUTED ALKYNYLBENZENE COMPOUND AND SALT THEREOF NFXL1, ZFX, CXXC5 DGAT1 2256/4885EGFR 1467/4885IGF1R 832/4885

“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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