SCHEMBL2178611

SCHEMBL2178611

COC(=O)CCCCCNc1ncnc2oc(-c3cccnc3F)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
RAD52 P43351 3/20 0.56
POLB P06746 2/20 0.56
CHEK1 O14757 3/20 0.55
CDK1 P06493 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 3/20 0.50
USP2 O75604 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
AURKA O14965 7/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
TNK2 Q07912 1/20 0.44
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL2178436 0.94 KMT2A (0.58) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527764 0.90 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4531328 0.88 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4533502 0.88 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL10267876 0.87 KMT2A (0.58) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535828 0.87 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527435 0.87 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527691 0.87 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527773 0.87 KMT2A (0.69) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4521063 0.87 KMT2A (0.57) KMT2AMEN1RAD52POLBCHEK1

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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP KMT2A 1997/4885MEN1 2508/4885RAD52 411/4885

“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.