SCHEMBL6750413

SCHEMBL6750413

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCCCC(=O)O)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.64
CHEK1 O14757 2/20 0.62
KMT2A Q03164 2/20 0.61
RAD52 P43351 1/20 0.61
MAP2K1 Q02750 1/20 0.60
MEN1 O00255 1/20 0.57
AURKB Q96GD4 1/20 0.56
EGFR P00533 1/20 0.54

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
SCHEMBL6750540 0.93 AURKA (0.63) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL4525559 0.92 CHEK1 (0.72) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750161 0.92 AURKA (0.66) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL4527832 0.91 AURKA (0.66) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL12409648 0.90 AURKA (0.56) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750552 0.90 AURKA (0.62) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750415 0.89 AURKA (0.67) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750461 0.89 AURKA (0.65) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750083 0.89 CHEK1 (0.64) AURKACHEK1KMT2ARAD52MAP2K1
SCHEMBL6750519 0.89 AURKA (0.67) AURKACHEK1KMT2ARAD52MAP2K1

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
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT AURKA 2909/4885CHEK1 969/4885KMT2A 3401/4885

“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.