SCHEMBL991391

SCHEMBL991391

CC(C)(C)OC(=O)Cc1cc(Cl)ncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
AAK1 Q2M2I8 3/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
P2RX7 Q99572 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
ASPH Q12797 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 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
SCHEMBL25583881 0.83 MTNR1A (0.48) MTNR1AMTNR1BAAK1ALDH1A1CCNB2
SCHEMBL990735 0.82 MTNR1A (0.40) MTNR1AMTNR1BAAK1ALDH1A1CCNB2
SCHEMBL991290 0.76 CYP1A2 (0.40) ALDH1A1MAPTHPGDTDP1
SCHEMBL11967066 0.76 AKR1C3 (0.39) ALDH1A1AKR1C3AKR1C2P2RX7ASPH
SCHEMBL1725225 0.76 MAPT (0.37) MTNR1AMTNR1BAAK1ALDH1A1MAPT
SCHEMBL27856309 0.75 POLQ (0.54) MTNR1AMTNR1BALDH1A1P2RX7
SCHEMBL31435380 0.74 LMNA (0.47) AAK1CACNA1HCACNA1BCACNA1CLMNA
SCHEMBL17796812 0.73 MAPT (0.45) AAK1MAPTAKR1C3AKR1C2ASPH
SCHEMBL17979054 0.73 RECQL (0.36) ALDH1A1MAPTAKR1C3AKR1C2P2RX7
SCHEMBL30031898 0.73 RECQL (0.36) ALDH1A1MAPTAKR1C3AKR1C2P2RX7

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 MTNR1A 3055/4885MTNR1B 2353/4885AAK1 114/4885

“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.