SCHEMBL990672

SCHEMBL990672

CN1CCN(c2cc(C(C(N)=O)C(C(=O)OC(C)(C)C)c3ccnc(N4CCN(C)CC4)c3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 3/20 0.38
LRRK2 Q5S007 3/20 0.37
WNT1 P04628 4/20 0.37
DYRK1A Q13627 4/20 0.37
GSK3B P49841 3/20 0.37
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RAD52 P43351 1/20 0.36
UBE2N P61088 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 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
SCHEMBL990645 0.78 RET (0.36) HRH4HRH3GPR119L3MBTL1PARP1
SCHEMBL990713 0.78 CYP11B2 (0.40) HRH4LRRK2GPR119KDM4EALDH1A1
SCHEMBL989996 0.76 CYP1A2 (0.37)
SCHEMBL16347835 0.73 GPR119 (0.50) HRH3LRRK2GPR119L3MBTL1ALDH1A1
SCHEMBL990733 0.72 WNT1 (0.46) HRH4HRH3LRRK2WNT1DYRK1A
SCHEMBL10203431 0.71 HRH4 (0.56) HRH4HRH3LRRK2KDM4ERAD52
SCHEMBL7887377 0.70 KDM4E (0.55) HRH4HRH3WNT1DYRK1AGSK3B
SCHEMBL23630396 0.70 CKS1B (0.47) LRRK2GPR119PIK3CA
SCHEMBL29944433 0.70 CKS1B (0.47) LRRK2GPR119PIK3CA
SCHEMBL568727 0.68 HRH4 (0.50) HRH4HRH3LRRK2KDM4ERAD52

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 HRH4 4203/4885HRH3 3979/4885LRRK2 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.