SCHEMBL1147702

SCHEMBL1147702

O=C(NNC(=O)c1ccccn1)c1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.73
TLR7 Q9NYK1 6/20 0.73
HTT P42858 5/20 0.73
ALDH1A1 P00352 1/20 0.73
LMNA P02545 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
OPRK1 P41145 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.65
RAB9A P51151 2/20 0.65
MAPT P10636 2/20 0.65
NPC1 O15118 1/20 0.65
PKM P14618 1/20 0.65
HPGD P15428 1/20 0.65
CDK5 Q00535 1/20 0.65
PAX8 Q06710 1/20 0.65
CDK5R1 Q15078 1/20 0.65
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
NAPRT Q6XQN6 1/20 0.61

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
SCHEMBL14810907 0.92 KDM4E (0.67) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL24931101 0.90 TLR7 (0.78) KDM4ETLR7HTTALDH1A1LMNA
Azapicyl SCHEMBL24931095 0.90 KDM4E (0.68) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL13850723 0.88 KDM4E (0.65) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL5298396 0.87 KDM4E (0.66) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL31434833 0.87 KDM4E (0.66) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL13381514 0.87 TLR7 (0.73) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL29136571 0.87 TLR7 (0.59) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL4508472 0.86 CES2 (0.64) KDM4ETLR7HTTALDH1A1LMNA
SCHEMBL24932399 0.86 KDM4E (0.64) KDM4ETLR7HTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230015647-A1 INHIBITORS OF HISTONE DEMETHYLASES (PFI-63 AND PFI-90) FOR THE TREATMENT OF CANCER AND FOR THE INHIBITION OF HISTONE DEMETHYLASE IN CELLS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-01-19 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
EP-1816913-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-08-15 EP disclosed
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 US disclosed
WO-2006091246-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-31 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-20230015647-A1 INHIBITORS OF HISTONE DEMETHYLASES (PFI-63 AND PFI-90) FOR THE TREATMENT OF CANCER AND FOR THE INHIBITION OF HISTONE DEMETHYLASE IN CELLS KDM3A, KDM3B, KDM1B KDM4E 22/4885TLR7 4769/4885HTT 1929/4885
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 KDM4E 3554/4885TLR7 4212/4885HTT 2563/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 KDM4E 3554/4885TLR7 4212/4885HTT 2563/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 KDM4E 3554/4885TLR7 4212/4885HTT 2563/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 KDM4E 3554/4885TLR7 4212/4885HTT 2563/4885

“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.