SCHEMBL1787465

SCHEMBL1787465

O=C(Nc1cc2ccccc2cn1)c1cccnc1SCc1ccnc(NC2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
NPC1 O15118 4/20 0.38
HSD11B1 P28845 2/20 0.38
MAPK8 P45983 1/20 0.37
ALDH1A1 P00352 4/20 0.37
WNT3A P56704 1/20 0.37
SYK P43405 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KMT2A Q03164 3/20 0.36
ABL1 P00519 3/20 0.36
CYP2C9 P11712 1/20 0.35
MTOR P42345 1/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1784490 0.97 HSD11B1 (0.40) KDRNPC1HSD11B1MAPK8ALDH1A1
SCHEMBL1784269 0.83 KDR (0.42) KDRNPC1ALDH1A1WNT3AKMT2A
SCHEMBL1786466 0.83 KDR (0.59) KDRNPC1HSD11B1ALDH1A1KMT2A
SCHEMBL1787441 0.82 KDR (0.42) KDRHSD11B1ALDH1A1KMT2APKM
SCHEMBL1788104 0.81 KDR (0.47) KDRNPC1ALDH1A1KMT2ARAB9A
SCHEMBL1788101 0.80 NPC1 (0.40) KDRNPC1ALDH1A1WNT3AKMT2A
SCHEMBL1788178 0.79 MEN1 (0.51) ALDH1A1SYKKMT2AAURKAL3MBTL1
SCHEMBL1786239 0.79 KDR (0.40) KDRNPC1HSD11B1MAPK8ALDH1A1
SCHEMBL1785787 0.79 DYRK1A (0.47) KDR
SCHEMBL1784703 0.79 DYRK1A (0.39) KDRNPC1ALDH1A1ABL1CYP2C9

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 KDR 2531/4885NPC1 1451/4885HSD11B1 1071/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885NPC1 1069/4885HSD11B1 148/4885

“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.