SCHEMBL1784849

SCHEMBL1784849

COc1c(F)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)n2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
WDR5 P61964 6/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
AKT1 P31749 1/20 0.38
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL1787458 0.80 POLB (0.47) TSHRMAPTNPSR1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL1786182 0.79 CHIA (0.38) MAPTWDR5KDM4EHSD17B10ALDH1A1
SCHEMBL15310333 0.78 L3MBTL1 (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1788513 0.78 KDR (0.37) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL15310177 0.77 L3MBTL1 (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1786445 0.77 KDR (0.57) TSHRMAPTNPSR1KDM4EALDH1A1
SCHEMBL15310373 0.77 L3MBTL1 (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15310295 0.77 KDR (0.47) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1784847 0.77 MAPT (0.51) TSHRMAPTNPSR1LMNATP53
SCHEMBL15310213 0.76 L3MBTL1 (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 TSHR 475/4885MAPT 4676/4885NPSR1 599/4885

“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.