SCHEMBL1787145

SCHEMBL1787145

CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(O[C@@H]4CCCN(CCCC(=O)O)C4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
FFAR4 Q5NUL3 7/20 0.36
EGFR P00533 2/20 0.35
LCK P06239 4/20 0.35
TNK2 Q07912 4/20 0.35
JAK2 O60674 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
ZAP70 P43403 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MERTK Q12866 1/20 0.34
S1PR5 Q9H228 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14467158 1.00 CHRNB4 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4FFAR4
Formic Acid SCHEMBL1787516 0.97 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4FFAR4
SCHEMBL1787367 0.93 TNK2 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4EGFR
SCHEMBL1785560 0.92 KDM4E (0.40) CHRNB4CHRNA3CHRNB2CHRNA4FFAR4
SCHEMBL4788763 0.92 TNK2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4EGFR
SCHEMBL12607271 0.92 TNK2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4EGFR
SCHEMBL1787517 0.91 EGFR (0.35) CHRNB4CHRNA3CHRNB2CHRNA4EGFR
SCHEMBL1785065 0.88 LCK (0.41) EGFRLCKTNK2JAK2SRC
SCHEMBL4750648 0.88 LCK (0.41) EGFRLCKTNK2JAK2SRC
SCHEMBL14467476 0.86 KDM4E (0.41) CHRNB4CHRNA3CHRNB2CHRNA4EGFR

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 9 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
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 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-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 CHRNB4 4839/4885CHRNA3 4817/4885CHRNB2 4826/4885

“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.