SCHEMBL1789859

SCHEMBL1789859

O=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccnc(N2CCN(CCO)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
KDR P35968 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
GRM4 Q14833 2/20 0.39
PTPN11 Q06124 1/20 0.39
CD38 P28907 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL1787272 0.91 KDR (0.45) KDRDRD2DRD4DRD3ALDH1A1
SCHEMBL1786455 0.89 MEN1 (0.53) NPSR1KDRDRD2DRD4DRD3
SCHEMBL1788671 0.88 KDR (0.45) KDRALDH1A1MAPTSMN1; SMN2GRM4
SCHEMBL1786456 0.87 ALDH1A1 (0.47) KDRDRD2DRD4DRD3ALDH1A1
SCHEMBL1789734 0.82 HTR2A (0.46) KDRDRD2DRD3ALDH1A1MAPT
SCHEMBL1786445 0.79 KDR (0.57) NPSR1KDRALDH1A1MAPTSMN1; SMN2
SCHEMBL1785330 0.79 KDR (0.55) KDRALDH1A1MAPTPTPN11KDM4E
SCHEMBL1787162 0.78 ALDH1A1 (0.46) KDRDRD2DRD4DRD3ALDH1A1
SCHEMBL1788104 0.77 KDR (0.47) KDRALDH1A1MAPTSMN1; SMN2GRM4
SCHEMBL1789920 0.76 KDR (0.48) KDRALDH1A1MAPTSMN1; SMN2GRM4

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 NPSR1 199/4885KDR 2531/4885DRD2 425/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 NPSR1 599/4885KDR 4/4885DRD2 3627/4885

“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.