SCHEMBL1784490

SCHEMBL1784490

O=C(Nc1cc2ccccc2cn1)c1cccnc1SCc1ccnc(NC2CCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDR P35968 1/20 0.38
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.36
WNT3A P56704 1/20 0.36
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 2/20 0.35
CYP2C9 P11712 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL1787465 0.97 KDR (0.39) HSD11B1MAPK8ALDH1A1KDRRAB9A
SCHEMBL1784269 0.82 KDR (0.42) ALDH1A1KDRRAB9ANPC1HTT
SCHEMBL1786820 0.81 KDR (0.46) HSD11B1ALDH1A1KDRRAB9ANPC1
SCHEMBL1786466 0.80 KDR (0.59) HSD11B1ALDH1A1KDRRAB9ANPC1
SCHEMBL1787441 0.79 KDR (0.42) HSD11B1ALDH1A1KDRRAB9AHTT
SCHEMBL1788101 0.78 NPC1 (0.40) ALDH1A1KDRRAB9ANPC1HTT
SCHEMBL1788104 0.78 KDR (0.47) ALDH1A1KDRRAB9ANPC1KMT2A
SCHEMBL1785787 0.77 DYRK1A (0.47) KDR
SCHEMBL1784703 0.77 DYRK1A (0.39) ALDH1A1KDRNPC1KDM4EABL1
SCHEMBL1786239 0.76 KDR (0.40) HSD11B1MAPK8ALDH1A1KDRNPC1

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 HSD11B1 1071/4885MAPK8 2219/4885ALDH1A1 134/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 HSD11B1 148/4885MAPK8 1591/4885ALDH1A1 185/4885

“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.