SCHEMBL6750362

SCHEMBL6750362

COC(=O)CCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
CHEK1 O14757 3/20 0.67
CDK1 P06493 1/20 0.67
AURKA O14965 8/20 0.65
RAD52 P43351 3/20 0.65
POLB P06746 2/20 0.65
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
USP2 O75604 2/20 0.59
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
TNK2 Q07912 1/20 0.59
MAP2K1 Q02750 1/20 0.58
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL4531678 0.94 AURKA (0.71) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4535665 0.94 KMT2A (0.71) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4531234 0.94 KMT2A (0.71) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL6750175 0.93 AURKA (0.67) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4536084 0.93 KMT2A (0.70) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4536090 0.93 KMT2A (0.70) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4527773 0.92 KMT2A (0.69) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4527312 0.92 AURKA (0.68) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL6750172 0.91 AURKA (0.63) KMT2AMEN1CHEK1CDK1AURKA
SCHEMBL4536086 0.91 KMT2A (0.68) KMT2AMEN1CHEK1CDK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3401/4885MEN1 2837/4885CHEK1 969/4885

“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.