SCHEMBL4075540

SCHEMBL4075540

Cc1cc(N2CCN(C)CC2)cc(CC(N)=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.38
NPC1 O15118 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAP2 P11137 1/20 0.36
HTT P42858 1/20 0.36
PIM3 Q86V86 1/20 0.36

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
SCHEMBL4081314 0.84 RAB9A (0.41) ADAMTS5NPC1LMNATP53MAPK1
SCHEMBL2995871 0.77 CYP11B2 (0.38) NPC1LMNATP53MAPK1RAB9A
SCHEMBL3546618 0.75 MAPT (0.55) NPC1LMNATP53MAPK1RAB9A
SCHEMBL989945 0.72 HTR3A (0.43) RAB9ACCNT1CDK4CCND1CDK9
SCHEMBL992615 0.70 HTR3A (0.43) RAB9APTK2
SCHEMBL3549535 0.70 SIRT6 (0.62) MAPK1ALDH1A1
SCHEMBL3547211 0.70 HDAC3 (0.44) NPC1LMNATP53MAPK1RAB9A
SCHEMBL2370707 0.69 NPC1 (0.56) NPC1LMNATP53RAB9AKMT2A
SCHEMBL23293931 0.69 PARP1 (0.45) NPC1MAPK1RAB9AKMT2AKDM4E
SCHEMBL989799 0.69 SIRT6 (0.41) LMNAMAPK1ALDH1A1PTK2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
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 disclosed
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 disclosed
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 disclosed
US-7358253-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-04-15 US disclosed
US-7235555-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-06-26 US disclosed
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 disclosed
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 disclosed
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 disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP disclosed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 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 (5 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-20070032507-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK ADAMTS5 744/4885NPC1 3340/4885LMNA 3154/4885
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 ADAMTS5 1700/4885NPC1 2401/4885LMNA 4455/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK ADAMTS5 744/4885NPC1 3340/4885LMNA 3154/4885
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES MYLK2, LCK, DGKK ADAMTS5 731/4885NPC1 3230/4885LMNA 2939/4885
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 ADAMTS5 431/4885NPC1 2503/4885LMNA 3834/4885

“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.