SCHEMBL4335098

SCHEMBL4335098

CCOC(=O)CCCn1cc(-c2cccnc2)c2nc[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
TNF P01375 8/20 0.41
TBXAS1 P24557 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL4344210 0.94 BRD4 (0.43) BRD4TBXAS1LMNAPOLBNCOA1
SCHEMBL4337751 0.86 BRD4 (0.41) BRD4TBXAS1MCL1
SCHEMBL4330619 0.81 GAA (0.43) TNFTBXAS1LMNAPOLBGAA
SCHEMBL4344213 0.79 KMT2A (0.50) LMNAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4325319 0.79 TNF (0.43) TNFLMNAGAARAB9A
SCHEMBL4332652 0.78 GAA (0.41) TNFTBXAS1LMNAPOLBGAA
SCHEMBL4334996 0.75 DHPS (0.52) BRD4CYP3A4CYP2C19
SCHEMBL4336675 0.75 TNF (0.49) TNF
SCHEMBL22086127 0.69 SRC (0.52) BRD4LMNAGAAMEN1KMT2A
SCHEMBL8539426 0.69 TNF (0.43) TNFLMNAPOLBMEN1KMT2A

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 BRD4 351/4885TNF 3687/4885TBXAS1 2476/4885

“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.