SCHEMBL989945

SCHEMBL989945

CN1CCN(c2cc(CC(N)=O)c(Cl)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
RAB9A P51151 2/20 0.41
CDK9 P50750 2/20 0.41
IKBKB O14920 5/20 0.40
SMO Q99835 5/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
PPARG P37231 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHUK O15111 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
CDK11A Q9UQ88 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
SCHEMBL992615 0.85 HTR3A (0.43) HTR3ARAB9AIKBKBSMOCYP1A2
SCHEMBL990802 0.83 SMO (0.47) HTR3ARAB9ASMOL3MBTL1
SCHEMBL989994 0.81 PTK2 (0.49) HTR3ACYP1A2CYP2C19
SCHEMBL990803 0.80 MAPT (0.45) HTR3ACYP1A2CYP2C19L3MBTL1
SCHEMBL27678426 0.79 HTR3A (0.48) HTR3ACYP1A2ALOX15CYP2C19
SCHEMBL27658356 0.78 SMO (0.40) HTR3ARAB9AIKBKBSMOWNT1
SCHEMBL14558281 0.75 WNT1 (0.49) HTR3ARAB9AIKBKBSMOWNT1
SCHEMBL21262025 0.74 HTR3A (0.51) HTR3ACYP1A2ALOX15CYP2C19
Hydrochloric Acid SCHEMBL5343724 0.74 WNT1 (0.48) HTR3ARAB9AIKBKBSMOWNT1
SCHEMBL991309 0.73 WNT1 (0.49) HTR3ARAB9AWNT1DYRK1AL3MBTL1

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 HTR3A 1898/4885RAB9A 1520/4885CDK9 548/4885

“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.