SCHEMBL1785404

SCHEMBL1785404

COc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCNC4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
UBE2N P61088 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TNK2 Q07912 1/20 0.42
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
TEK Q02763 6/20 0.41
KDR P35968 5/20 0.41
THRB P10828 3/20 0.39
SGK1 O00141 2/20 0.37
CHEK1 O14757 1/20 0.37
CDK1 P06493 1/20 0.37
GSK3B P49841 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
PIM1 P11309 1/20 0.36

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
Formic Acid SCHEMBL1789053 0.95 KDM4E (0.40) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1786399 0.89 ALOX5AP (0.41) TNK2ALOX5APFEN1SGK1CHEK1
SCHEMBL4697464 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
Formic Acid SCHEMBL1787399 0.85 ALOX5AP (0.38) TNK2ALOX5APFEN1SGK1CHEK1
SCHEMBL4750936 0.80 TNK2 (0.42) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1786414 0.80 TNK2 (0.42) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1785560 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14467476 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1787239 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4750933 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP 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 (1 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT KDM4E 4173/4885ALDH1A1 472/4885HPGD 75/4885

“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.