SCHEMBL2822167

SCHEMBL2822167

O=C1CC(c2ccccc2)=Nc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 4/20 0.39
AXL P30530 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
DHODH Q02127 1/20 0.36
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL367269 0.76 ALDH1A1 (0.54) ALDH1A1AXLHTTMAPTTDP1
SCHEMBL20240685 0.76 AURKA (0.38) ALDH1A1AXLHTTMAPTDHODH
SCHEMBL2299734 0.75 CCNA2 (0.40) ALDH1A1HSD17B10MAPTPTPRCCTSL
SCHEMBL9694568 0.75 GAA (0.38) PDCD1CD274ALDH1A1MAPTPTPRC
SCHEMBL5093999 0.75 TDP2 (0.38) ALDH1A1MAPTPTPRCCTSLCTSS
SCHEMBL18485263 0.71 TDP2 (0.35) MAPTPTPRCCTSLCTSSPTPN13
Acetic Acid SCHEMBL6142954 0.70 ALDH1A1 (0.48) ALDH1A1HTTMAPTDHODHTDP1
SCHEMBL9963984 0.68 PTPRC (0.46) ALDH1A1HTTMAPTPTPRCCTSL
SCHEMBL2363208 0.68 CHEK1 (0.36) PTPRCCTSLCTSSPTPN13TDP1
SCHEMBL18471620 0.68 TDP2 (0.33) PTPRCCTSLCTSSPTPN13TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029394-B2 2-phenyl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-12 US disclosed
US-9023867-B2 Hydrophilic derivatives of 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
US-9023866-B2 2-selenophene-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2015-05-05 US disclosed
WO-2014179401-A1 2-ARYLNAPHTHYRIDIN-4-ONES AS POTENT ANTITUMOR AGENTS TARGETING TUMORIGENIC CELL LINES KUO SHENG-CHU 2014-11-06 WO disclosed
EP-2468747-B1 2-Selenophene-4-quinolones as anticancer agents UNIV CHINA MEDICAL (TW) 2014-09-03 EP disclosed
EP-2455369-B1 Derivatives of 2-aryl-4-quinolones having an aminoalkyl group as anticancer agents UNIV CHINA MEDICAL (TW) 2014-09-03 EP disclosed
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-26 US disclosed
US-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS CHINA MEDICAL UNIVERSITY (TW) 2013-09-19 US disclosed
US-8440692-B2 Hydrophilic derivatives of 2-aryl-4-quinolones as anticancer agents CHINA MEDICAL UNIVERSITY (TW) 2013-05-14 US disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
EP-1079845-A4 NOVEL THERAPEUTIC AGENTS FOR MACROMOLECULAR STRUCTURES ADVANCED MEDICINE INC (US) 2001-03-07 EP disclosed
EP-1079845-A1 NOVEL THERAPEUTIC AGENTS FOR MACROMOLECULAR STRUCTURES Advanced Medicine, Inc. (US) 2001-03-07 EP disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
WO-1999064036-A9 NOVEL THERAPEUTIC AGENTS FOR MACROMOLECULAR STRUCTURES ADVANCED MEDICINE INC (US) 2000-03-02 WO disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
WO-1999064036-A1 NOVEL THERAPEUTIC AGENTS FOR MACROMOLECULAR STRUCTURES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 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 (3 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-20130244983-A1 NOVEL HYDROPHILIC DERIVATIVES OF 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DHX30, SLC20A2, SLC20A1 PDCD1 1760/4885CD274 2314/4885ALDH1A1 3332/4885
US-20130253006-A1 2-SELENOPHENE-4-QUINOLONES AS ANTICANCER AGENTS DDX5, DHX30, PPIP5K2 PDCD1 1774/4885CD274 2689/4885ALDH1A1 3657/4885
US-20130252999-A1 2-PHENYL-4-QUINOLONES AS ANTICANCER AGENTS PPIP5K2, DDX5, DHX30 PDCD1 1585/4885CD274 2497/4885ALDH1A1 3490/4885

“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.