SCHEMBL6748503

SCHEMBL6748503

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCO)c23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.77
CDK1 P06493 1/20 0.77
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
TNK2 Q07912 2/20 0.68
AURKA O14965 7/20 0.67
MAP2K1 Q02750 1/20 0.67
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
UBE2N P61088 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RAD52 P43351 3/20 0.65
POLB P06746 2/20 0.65
NPSR1 Q6W5P4 2/20 0.61
HSD17B10 Q99714 2/20 0.61
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
USP2 O75604 1/20 0.59

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
SCHEMBL6748506 0.91 CHEK1 (0.82) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL13632594 0.90 AURKA (0.81) CHEK1KMT2AMEN1TNK2AURKA
SCHEMBL4531850 0.90 KMT2A (0.92) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL4520017 0.88 KMT2A (0.85) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL4519943 0.88 AURKA (0.84) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL6749207 0.88 AURKA (0.84) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL6749226 0.88 AURKA (0.84) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL6748499 0.87 CHEK1 (0.67) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL12355053 0.87 CHEK1 (1.00) CHEK1CDK1KMT2AMEN1TNK2
SCHEMBL14923114 0.86 KDM4E (0.71) CHEK1CDK1KMT2AMEN1TNK2

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 2 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US 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 CHEK1 969/4885CDK1 1366/4885KMT2A 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.