SCHEMBL4906489

SCHEMBL4906489

CN1CCN(c2ncc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)n2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.82
JAK1 P23458 2/20 0.82
JAK2 O60674 1/20 0.82
TYK2 P29597 1/20 0.82
PRKCH P24723 19/20 0.69
PRKCQ Q04759 19/20 0.69
PRKCD Q05655 19/20 0.69
PRKCA P17252 18/20 0.69
PRKCB P05771 17/20 0.69
PRKCE Q02156 16/20 0.69
PRKD3 O94806 2/20 0.69
MAP4K4 O95819 2/20 0.69
PIM1 P11309 2/20 0.69
MARK3 P27448 2/20 0.69
LTK P29376 2/20 0.69
GRK5 P34947 2/20 0.69
KDR P35968 2/20 0.69
GSK3A P49840 2/20 0.69
RPS6KA3 P51812 2/20 0.69
CDK5 Q00535 2/20 0.69

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
SCHEMBL857150 0.85 PRKCQ (0.72) JAK3JAK1JAK2TYK2PRKCH
SCHEMBL990717 0.84 PRKCA (0.66) JAK3JAK1JAK2TYK2PRKCH
SCHEMBL6530244 0.82 JAK1 (0.56) JAK3JAK1JAK2TYK2PRKCH
Sotrastaurin SCHEMBL29364923 0.82 PRKCH (1.00) JAK3JAK1PRKCHPRKCQPRKCD
Sotrastaurin SCHEMBL2500835 0.82 PRKCH (1.00) JAK3JAK1PRKCHPRKCQPRKCD
Sotrastaurin SCHEMBL29526075 0.82 PRKCH (1.00) JAK3JAK1PRKCHPRKCQPRKCD
Sotrastaurin SCHEMBL3846239 0.79 PRKCH (0.93) JAK3JAK1PRKCHPRKCQPRKCD
SCHEMBL4905416 0.79 PRKCH (0.76) JAK3JAK1PRKCHPRKCQPRKCD
Sotrastaurin SCHEMBL29412439 0.79 PRKCH (0.93) JAK3JAK1PRKCHPRKCQPRKCD
SCHEMBL21583796 0.79 JAK3 (0.81) JAK3JAK1JAK2TYK2PRKCH

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US claimed
US-7235555-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-06-26 US claimed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US claimed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP claimed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug NFATC1, CD4, LCK JAK3 227/4885JAK1 130/4885JAK2 399/4885
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease DGKK, DGKG, HLA-DRB1 JAK3 181/4885JAK1 57/4885JAK2 249/4885

“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.