SCHEMBL4333890

SCHEMBL4333890

Cc1ccc(CNC(=O)CCCn2c(C3CC3)c(-c3cccnc3)c3nc[nH]c(=O)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4330570 0.88 KDM4E (0.42) KDM4EHSD17B10KMT2ARXFP1POLB
SCHEMBL4323903 0.84 TBXAS1 (0.39)
SCHEMBL4332652 0.83 GAA (0.41) KMT2AMEN1POLBGAA
SCHEMBL4337687 0.76 KDM4E (0.44) KDM4EHSD17B10KMT2AMEN1RXFP1
SCHEMBL4339090 0.75 BACE1 (0.42) ALDH1A1MAPT
SCHEMBL4344213 0.73 KMT2A (0.50) KDM4EKMT2ATRPV1CYP3A4CYP2C9
SCHEMBL4337828 0.70 TBXAS1 (0.41) MAPT
SCHEMBL4558204 0.63 PARP1 (0.34)
SCHEMBL4341345 0.62 SCD (0.40) CYP3A4
SCHEMBL4337751 0.62 BRD4 (0.41) HSD17B10

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
EP-1661897-B1 PYRROLOPYRIMIDINONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2013-12-04 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20060160831-A1 Pyrrolopyrimidinone derivatives TEIJIN PHARMA LIMITED (JP) 2006-07-20 US disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 EP 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-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP KDM4E 1531/4885HSD17B10 381/4885KMT2A 1602/4885

“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.