SCHEMBL989975

SCHEMBL989975

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
CHEK1 O14757 3/20 0.43
LRRK2 Q5S007 1/20 0.42
HRH4 Q9H3N8 1/20 0.39
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 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
SCHEMBL990713 0.83 CYP11B2 (0.40) CYP11B2CHEK1LRRK2HRH4TGFBR1
SCHEMBL13436500 0.74 HRH4 (0.44) CHEK1HRH4NOS3NOS1KDM4E
SCHEMBL28315377 0.74 CHRNB2 (0.62) CYP11B2CHEK1TGFBR1ACVR1NOS3
SCHEMBL6357838 0.72 HRH4 (0.41) CYP11B2CHEK1HRH4NOS3NOS1
SCHEMBL989973 0.71 NPC1 (0.41) CYP11B2CHEK1HRH4NOS3NOS1
SCHEMBL990623 0.70 NOS3 (0.51) CYP11B2CHEK1TGFBR1ACVR1NOS3
SCHEMBL13436278 0.70 CCR6 (0.46) CYP11B2HRH4NOS3NOS1HTR3A
SCHEMBL6360919 0.69 NOS3 (0.39) CYP11B2CHEK1HRH4NOS3NOS1
SCHEMBL990018 0.69 NOS3 (0.49) CYP11B2CHEK1NOS3NOS1
SCHEMBL24309749 0.68 CHRNB2 (0.57) CYP11B2CHEK1NOS3NOS1CHRNB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1522/4885LRRK2 1447/4885

“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.