SCHEMBL989994

SCHEMBL989994

CN1CCN(c2cc(CC(N)=O)c(C(F)(F)F)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 14/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FLT4 P35916 4/20 0.41
HTR3A P46098 1/20 0.40
TACR1 P25103 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL991290 0.84 CYP1A2 (0.40) PTK2CYP1A2CYP2C19SMN1; SMN2HTR3A
SCHEMBL992615 0.82 HTR3A (0.43) PTK2CYP1A2HTR3ATACR1HRH4
SCHEMBL989945 0.81 HTR3A (0.43) CYP1A2CYP2C19HTR3A
SCHEMBL990803 0.77 MAPT (0.45) CYP1A2CYP2C19SMN1; SMN2HTR3AHRH4
SCHEMBL856329 0.74 PTK2 (0.47) PTK2CYP1A2CYP2C19SMN1; SMN2HTR3A
SCHEMBL989996 0.73 CYP1A2 (0.37) PTK2CYP1A2CYP2C19SMN1; SMN2HTR3A
SCHEMBL991309 0.70 WNT1 (0.49) SMN1; SMN2HTR3AHRH4
SCHEMBL1996892 0.69 HTR3A (0.62) HTR3AHRH4
SCHEMBL22652074 0.69 HTR3A (0.49) HTR3AHRH4
SCHEMBL989988 0.68 HTR3A (0.39) CYP1A2HTR3ATACR1HRH4

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 9 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
CN-101933926-A Indolylmaleimde derivatives as PKC inhibitors NOVARTIS AG 2011-01-05 CN disclosed
CN-1910173-B Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG 2010-06-09 CN 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
CN-1910173-A Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2007-02-07 CN 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 PTK2 1045/4885CYP1A2 4077/4885CYP2C19 3001/4885

“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.