SCHEMBL1784703

SCHEMBL1784703

O=C(Nc1cc2ccccc2cn1)c1cccnc1SCc1ccnc(N2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.39
WNT1 P04628 4/20 0.39
GSK3B P49841 3/20 0.39
ABL1 P00519 1/20 0.39
ACHE P22303 3/20 0.38
KDR P35968 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1785787 0.90 DYRK1A (0.47) DYRK1AWNT1GSK3BKDRHTR1A
SCHEMBL1789734 0.88 HTR2A (0.46) DYRK1AWNT1GSK3BABL1ACHE
SCHEMBL1787472 0.83 ALDH1A1 (0.43) KDRDRD3ALDH1A1MAPTSMN1; SMN2
SCHEMBL1788671 0.82 KDR (0.45) KDRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL1784269 0.81 KDR (0.42) KDRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL1788513 0.80 KDR (0.37) ACHEKDRALDH1A1MAPTSMN1; SMN2
SCHEMBL1787465 0.79 KDR (0.39) ABL1KDRALDH1A1SMN1; SMN2NPC1
SCHEMBL1788101 0.78 NPC1 (0.40) KDRALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL1784490 0.77 HSD11B1 (0.40) ABL1KDRALDH1A1NPC1CYP2C9
SCHEMBL4017037 0.75 KDR (0.64) KDRALDH1A1MAPTSMN1; SMN2NPC1

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 DYRK1A 4461/4885WNT1 3052/4885GSK3B 4599/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 DYRK1A 4261/4885WNT1 531/4885GSK3B 4418/4885

“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.