SCHEMBL989996

SCHEMBL989996

CN1CCN(c2cc(C(C(N)=O)C(C(=O)OC(C)(C)C)c3cc(N4CCN(C)CC4)ncc3C(F)(F)F)c(C(F)(F)F)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TACR1 P25103 3/20 0.36
SOS1 Q07889 1/20 0.35
MET P08581 1/20 0.35
PTK2 Q05397 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PLK1 P53350 1/20 0.34
HPGD P15428 1/20 0.34
NEK2 P51955 2/20 0.34
HTR3A P46098 1/20 0.34
SSTR4 P31391 1/20 0.33
BRAF P15056 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL990645 0.87 RET (0.36) CYP1A2SMN1; SMN2TACR1HTR3A
SCHEMBL990672 0.76 HRH4 (0.41)
SCHEMBL991290 0.74 CYP1A2 (0.40) CYP1A2CYP2C19SMN1; SMN2TACR1PTK2
SCHEMBL989994 0.73 PTK2 (0.49) CYP1A2CYP2C19SMN1; SMN2TACR1MET
SCHEMBL990479 0.72 SMO (0.43) SMN1; SMN2HPGD
SCHEMBL990713 0.70 CYP11B2 (0.40) BRAF
SCHEMBL990003 0.69 MAPT (0.41) CYP1A2CYP2C19SMN1; SMN2CYP2C9ITGB2
SCHEMBL29208722 0.69 MAP4K4 (0.49) SMN1; SMN2HPGD
SCHEMBL31410409 0.68 ALK (0.53) SMN1; SMN2HPGDITGB2ICAM1ITGAL
SCHEMBL29208699 0.67 GPR119 (0.49) SMN1; SMN2HPGD

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 CYP1A2 4077/4885CYP2C19 3001/4885SMN1; SMN2 4485/4885

“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.