SCHEMBL1787343

SCHEMBL1787343

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
KDR P35968 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
LCK P06239 1/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1786545 0.85 KDR (0.45) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1785263 0.85 KMT2A (0.45) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1787746 0.82 KDR (0.43) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1787441 0.81 KDR (0.42) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1786745 0.81 HTT (0.42) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1783816 0.81 KDR (0.46) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1785373 0.80 KMT2A (0.47) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1788504 0.80 KDR (0.45) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1786239 0.79 KDR (0.40) KDRTP53SMN1; SMN2KDM4EHTT
SCHEMBL1787390 0.79 GRM4 (0.41) KDRTP53SMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 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 (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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 MAPK14 2430/4885KDR 2531/4885TP53 4631/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 MAPK14 2134/4885KDR 4/4885TP53 1365/4885

“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.