SCHEMBL737611

SCHEMBL737611

O=c1[nH]cnc2oc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.52
CHEK1 O14757 3/20 0.46
DYRK1A Q13627 1/20 0.46
AURKA O14965 6/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAP2K1 Q02750 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EGFR P00533 1/20 0.43
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
SRC P12931 1/20 0.43
LCK P06239 2/20 0.42
KDR P35968 2/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL14923117 0.93 AURKA (0.48) TNK2CHEK1DYRK1AAURKAALDH1A1
SCHEMBL6198726 0.92 PDPK1 (0.50) TNK2CHEK1DYRK1AAURKAALDH1A1
SCHEMBL6200114 0.92 LMNA (0.47) TNK2CHEK1DYRK1AAURKAALDH1A1
SCHEMBL1785591 0.89 TNK2 (0.43) TNK2CHEK1AURKAALDH1A1HPGD
SCHEMBL1786338 0.89 KDM4E (0.61) TNK2CHEK1AURKAALDH1A1HPGD
SCHEMBL6203015 0.88 KDR (0.43) TNK2CHEK1DYRK1AAURKAALDH1A1
SCHEMBL6202380 0.86 NPC1 (0.43) TNK2CHEK1DYRK1AAURKAALDH1A1
SCHEMBL12677063 0.85 AKT1 (0.44) TNK2
SCHEMBL2968444 0.84 DYRK1A (0.44) DYRK1AALDH1A1HPGDHSD17B10TSHR
SCHEMBL2966057 0.84 DYRK1A (0.48) DYRK1AALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190212343-A1 METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-07-11 US disclosed
US-20170299599-A1 PHOSPHORYLATION OF HISTONES AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE 2017-10-19 US disclosed
US-20170299599-A1 PHOSPHORYLATION OF HISTONES AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE 2017-10-19 US disclosed
US-9594084-B2 Phosphorylation of histones and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2017-03-14 US disclosed
US-9594084-B2 Phosphorylation of histones and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2017-03-14 US disclosed
EP-2276346-B1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (TW) 2016-11-23 EP disclosed
EP-2276346-B1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (TW) 2016-11-23 EP disclosed
US-20160091498-A1 METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-31 US disclosed
US-20160091498-A1 METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2016-03-31 US disclosed
US-20150011567-A1 PHOSPHORYLATION OF HISTONES AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE 2015-01-08 US disclosed
US-20100120805-A1 Fused Bicyclic and Tricyclic Pyrimidine Compounds as Tyrosine Kinase Inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-13 US disclosed
US-20100120805-A1 Fused Bicyclic and Tricyclic Pyrimidine Compounds as Tyrosine Kinase Inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-13 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
WO-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 WO disclosed
WO-2009134658-A2 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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-20090275533-A1 FUSED BICYCLIC PYRIMIDINE COMPOUNDS AS AURORA KINASE INHIBITORS AURKB, AURKA, AURKC TNK2 193/4885CHEK1 45/4885DYRK1A 398/4885
US-20170299599-A1 PHOSPHORYLATION OF HISTONES AND USES THEREOF H1-3, H1-4, H1-5 TNK2 456/4885CHEK1 451/4885DYRK1A 269/4885
US-20150011567-A1 PHOSPHORYLATION OF HISTONES AND USES THEREOF H1-3, H1-4, H1-5 TNK2 456/4885CHEK1 451/4885DYRK1A 269/4885
US-20190212343-A1 METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES HNRNPH3, EP300, KAT2A TNK2 413/4885CHEK1 440/4885DYRK1A 3249/4885
US-20160091498-A1 METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES HNRNPH3, EP300, KAT2A TNK2 413/4885CHEK1 440/4885DYRK1A 3249/4885
US-20100120805-A1 Fused Bicyclic and Tricyclic Pyrimidine Compounds as Tyrosine Kinase Inhibitors ERBB2, EGFR, BMX TNK2 118/4885CHEK1 145/4885DYRK1A 385/4885

“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.