SCHEMBL2995871

SCHEMBL2995871

CN1CCN(c2cc3c(c(CC(N)=O)c2)CCCC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
CHKA P35790 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
PTK2 Q05397 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
PIM1 P11309 1/20 0.34
TTK P33981 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ADRA2C P18825 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13038941 0.83 NLRP3 (0.42) TMEM97SIGMAR1KMT2AMAPTKDM4E
SCHEMBL4075540 0.77 ADAMTS5 (0.38) KMT2APTK2KDM4EALDH1A1HSD17B10
SCHEMBL3546618 0.74 MAPT (0.55) KMT2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL2370707 0.71 NPC1 (0.56) CHKAKMT2AMAPTKDM4EALDH1A1
SCHEMBL25822408 0.70 ALDH1A1 (0.36) CYP11B2KMT2AKDM4EALDH1A1NPC1
SCHEMBL3549535 0.69 SIRT6 (0.62) MAPTALDH1A1MAPK1
SCHEMBL3547211 0.69 HDAC3 (0.44) KMT2APTK2MAPTKDM4EALDH1A1
SCHEMBL989799 0.68 SIRT6 (0.41) CYP11B2PTK2MAPTALDH1A1LMNA
SCHEMBL1996163 0.68 HTR2C (0.41) HRH4KDM4EALDH1A1HSD17B10
SCHEMBL5790195 0.67 AGXT (0.61) TMEM97SIGMAR1NPC1ADRA2CRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825124-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-11-02 US disclosed
US-7786123-B2 Indolylmaleimide derivatives ALBERT RAINER 2010-08-31 US disclosed
US-20090318463-A1 Indolylmaleimide Derivatives ALBERT RAINER 2009-12-24 US disclosed
EP-1337527-B1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-10-14 EP disclosed
EP-2070921-A1 Indolylmaleimide derivatives as protein kinase c inhibitors Novartis Ag (CH) 2009-06-17 EP disclosed
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease ALBERT RAINER 2007-08-16 US disclosed
US-20070184061-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-08-09 US disclosed
US-20070155817-A1 Indolylmaleimide derivatives ALBERT RAINER 2007-07-05 US disclosed
US-7220774-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-05-22 US disclosed
US-20040053949-A1 Indolylmaleimide derivatives ALBERT RAINER (CH) 2004-03-18 US disclosed
US-6645970-B2 Preventing T-cell mediated acute or chronic inflammatory diseases or disorders, autoimmune diseases, graft rejection or cancer NOVARTIS AG (CH) 2003-11-11 US disclosed
EP-1337527-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS Novartis AG (CH) 2003-08-27 EP disclosed
US-20030069424-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2003-04-10 US disclosed
WO-2002038561-A1 INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2002-05-16 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 (6 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-20090318463-A1 Indolylmaleimide Derivatives NFATC1, INMT, IDO1 CYP11B2 1439/4885CHKA 1719/4885TMEM97 4624/4885
US-20070191401-A1 Transplant rejection, autoimmune disease, autoimmune disease NFATC1, HLA-DRB1, INMT CYP11B2 1841/4885CHKA 3159/4885TMEM97 4191/4885
US-20030069424-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 CYP11B2 1439/4885CHKA 1719/4885TMEM97 4624/4885
US-20040053949-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 CYP11B2 1439/4885CHKA 1719/4885TMEM97 4624/4885
US-20070155817-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 CYP11B2 1439/4885CHKA 1719/4885TMEM97 4624/4885
US-20070184061-A1 Indolylmaleimide derivatives NFATC1, INMT, IDO1 CYP11B2 1439/4885CHKA 1719/4885TMEM97 4624/4885

“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.