SCHEMBL990713

SCHEMBL990713

CN1CCN(c2cncc(C(C(N)=O)C(C(=O)OC(C)(C)C)c3cncc(N4CCN(C)CC4)c3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CHEK1 O14757 3/20 0.38
TGFBR1 P36897 2/20 0.37
ACVR1 Q04771 2/20 0.37
LRRK2 Q5S007 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
BRAF P15056 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PTK2B Q14289 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL989975 0.83 CYP11B2 (0.44) CYP11B2CHEK1TGFBR1ACVR1LRRK2
SCHEMBL990672 0.78 HRH4 (0.41) LRRK2HRH4GPR119KDM4EALDH1A1
SCHEMBL21877350 0.72 GPR119 (0.42) GPR119KDM4EGAAMAPTMAPK1
SCHEMBL990645 0.72 RET (0.36) HRH4GPR119
SCHEMBL990712 0.71 NOS3 (0.44) CYP11B2CHEK1TGFBR1ACVR1GPR119
SCHEMBL989996 0.70 CYP1A2 (0.37) BRAF
SCHEMBL13436500 0.69 HRH4 (0.44) CHEK1HRH4NOS3NOS1KDM4E
SCHEMBL28315377 0.69 CHRNB2 (0.62) CYP11B2CHEK1TGFBR1ACVR1NOS3
SCHEMBL12205269 0.68 GPR119 (0.56) GPR119MAPTALDH1A1
SCHEMBL6357838 0.68 HRH4 (0.41) CYP11B2CHEK1HRH4NOS3NOS1

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-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 WO 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 (1 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-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI CYP11B2 1359/4885CHEK1 1522/4885TGFBR1 4542/4885

“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.