SCHEMBL1785787

SCHEMBL1785787

CN1CCN(c2nccc(CSc3ncccc3C(=O)Nc3cc4ccccc4cn3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.47
WNT1 P04628 8/20 0.47
GSK3B P49841 7/20 0.44
CLK2 P49760 4/20 0.41
CLK3 P49761 4/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
DYRK3 O43781 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK1 P49759 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL1789734 0.91 HTR2A (0.46) DYRK1AWNT1GSK3BHTR1AHTR2A
SCHEMBL1784703 0.90 DYRK1A (0.39) DYRK1AWNT1GSK3BHTR1AHTR2A
SCHEMBL1787162 0.84 ALDH1A1 (0.46) DRD3KDR
SCHEMBL1787272 0.82 KDR (0.45) DRD3KDR
SCHEMBL1784269 0.81 KDR (0.42) KDR
SCHEMBL1788101 0.79 NPC1 (0.40) KDR
Hydrochloric Acid SCHEMBL1786182 0.79 CHIA (0.38) KDR
SCHEMBL1787465 0.79 KDR (0.39) KDR
SCHEMBL1784490 0.77 HSD11B1 (0.40) KDR
SCHEMBL1786456 0.76 ALDH1A1 (0.47) DRD3KDR

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.