SCHEMBL990668

SCHEMBL990668

COC(=O)C(=O)c1cn(C)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.71
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KMT2A Q03164 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.56
MITF O75030 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL31621504 0.83 NR4A2 (1.00) NR4A2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1092934 0.83 NR4A2 (1.00) NR4A2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4685270 0.83 NR4A2 (0.57) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL1558956 0.81 POLB (0.68) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL14828742 0.81 ALDH1A1 (0.63) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL6098691 0.81 CNR2 (0.60) NR4A2ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL8804371 0.81 NR4A2 (0.55) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL20380141 0.81 NR4A2 (0.55) NR4A2SMN1; SMN2POLBLMNAMAPT
SCHEMBL8803982 0.80 ALDH1A1 (0.61) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3721490 0.80 ALDH1A1 (0.61) NR4A2ALDH1A1SMN1; SMN2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10543282-B2 Targeted peptide conjugates MARKER GENE TECHNOLOGIES, INC (US) 2020-01-28 US disclosed
US-20180207287-A1 TARGETED PEPTIDE CONJUGATES MARKER GENE TECHNOLOGIES, INC. 2018-07-26 US disclosed
US-20180207287-A1 TARGETED PEPTIDE CONJUGATES MARKER GENE TECHNOLOGIES, INC. 2018-07-26 US disclosed
WO-2018132636-A1 [18F]MALEIMIDE-BASED GLYCOGEN SYNTHASE KINASE-3BETA LIGANDS FOR POSITRON EMISSION TOMOGRAPHY IMAGING AND RADIOSYNTHESIS METHOD THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-07-19 WO disclosed
CN-103130790-A 3-benzo isoxazole-4-benzpyrole maleimide derivative and application thereof UNIV ZHEJIANG TECHNOLOGY 2013-06-05 CN disclosed
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
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-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
CN-1774265-A Medicine for nerve regeneration KYOWA HAKKO KOGYO KK (JP) 2006-05-17 CN disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 WO disclosed
WO-2005014584-A9 3-(INDOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES,3-(BENZIMIDAZOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES, AND 3-(INDOLIN-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES; THEIR PREPARATION AND USE AS MODULATORS OF APOPTOSIS AEGERA THERAPEUTICS INC (CA) 2005-06-23 WO disclosed
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US disclosed
WO-2005014584-A1 3-(INDOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES,3-(BENZIMIDAZOL-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES, AND 3-(INDOLIN-1-YL)-4-(INDOL-3-YL)-PYRROLE-2,5-DIONES; THEIR PREPARATION AND USE AS MODULATORS OF APOPTOSIS AEGERA THERAPEUTICS INC. (CA) 2005-02-17 WO disclosed
WO-2005000836-A1 SUBSTITUTED INDAZOLYL(INDOLYL)MALEIMIDE DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 WO disclosed
WO-1998007693-A1 SYNTHESIS OF BISINDOLYLMALIMIDES ELI LILLY AND COMPANY (US) 1998-02-26 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 (4 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF NR4A2 1147/4885ALDH1A1 892/4885SMN1; SMN2 21/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK NR4A2 4254/4885ALDH1A1 3744/4885SMN1; SMN2 1884/4885
US-20180207287-A1 TARGETED PEPTIDE CONJUGATES VCP, NLN, GOLT1B NR4A2 3944/4885ALDH1A1 4042/4885SMN1; SMN2 1407/4885
US-10543282-B2 Targeted peptide conjugates VCP, NLN, GOLT1B NR4A2 3944/4885ALDH1A1 4042/4885SMN1; SMN2 1407/4885

“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.