SCHEMBL4337751

SCHEMBL4337751

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
MCL1 Q07820 1/20 0.40
TBXAS1 P24557 10/20 0.39
CAMK2D Q13557 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL4335098 0.86 BRD4 (0.41) BRD4MCL1TBXAS1
SCHEMBL4344213 0.86 KMT2A (0.50)
SCHEMBL4326477 0.83 GAA (0.47)
SCHEMBL4344210 0.82 BRD4 (0.43) BRD4MCL1TBXAS1HSD17B10
SCHEMBL4334996 0.82 DHPS (0.52) BRD4
SCHEMBL4337828 0.79 TBXAS1 (0.41) MCL1TBXAS1PDK2
SCHEMBL4323903 0.76 TBXAS1 (0.39) TBXAS1KDM4AKDM4BKDM5CKDM5B
SCHEMBL22086127 0.76 SRC (0.52) BRD4HSD17B10
SCHEMBL28752068 0.68 CYP2A6 (0.62) TBXAS1
SCHEMBL3557983 0.66 CAMK2D (0.42) CAMK2D

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 351/4885MCL1 3559/4885TBXAS1 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.