SCHEMBL1788016

SCHEMBL1788016

COC(=O)c1ccnc(NC(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
KDM5A P29375 1/20 0.47
JMJD1C Q15652 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
IAPP P10997 1/20 0.45
CYP1A2 P05177 3/20 0.45
CDC7 O00311 1/20 0.42
IDH1 O75874 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CDK4 P11802 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL28606159 0.84 ALDH1A1 (0.51) KDM4EKDM5AJMJD1CKDM3ACYP1A2
SCHEMBL22186826 0.83 KDM4E (0.69) KDM4EKDM5AJMJD1CKDM3ACYP1A2
SCHEMBL1788322 0.83 KDM4E (0.46) KDM4EKDM5AJMJD1CKDM3ACYP1A2
SCHEMBL28129515 0.83 KDM4E (0.44) KDM4EKDM5AJMJD1CKDM3AIDH1
SCHEMBL2715477 0.80 JAK1 (0.47) KDM4ENPC1RAB9ARXFP1POLB
SCHEMBL29502645 0.79 KDM4E (0.42) KDM4EKDM5AJMJD1CKDM3ACYP1A2
SCHEMBL30421382 0.78 CYP1A2 (0.64) KDM4ECYP1A2CDC7NPC1RAB9A
SCHEMBL1789196 0.77 ROCK1 (0.55) KDM4EKDM5AJMJD1CKDM3ACYP1A2
SCHEMBL670174 0.76 AURKA (0.53) NPC1RAB9ACDK2MAPK1MAPT
SCHEMBL28605998 0.76 IDH1 (0.42) KDM4EKDM5AJMJD1CKDM3ACDC7

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 KDM4E 4274/4885KDM5A 4194/4885JMJD1C 4393/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDM4E 3990/4885KDM5A 4083/4885JMJD1C 4534/4885

“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.