SCHEMBL4339796

SCHEMBL4339796

O=C(NCCn1c(-c2sccc2Cl)c(-c2cccnc2)c2nc[nH]c(=O)c21)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
KDR P35968 2/20 0.37
CYP3A4 P08684 1/20 0.37
MCHR1 Q99705 5/20 0.36
CNR1 P21554 1/20 0.35
MET P08581 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CDK2 P24941 1/20 0.34
FLT4 P35916 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL13783640 0.92 CHRNA7 (0.39) CHRNA7KDRCYP3A4MCHR1MET
SCHEMBL4341345 0.88 SCD (0.40) CYP3A4MCHR1CNR1HPGD
SCHEMBL5983917 0.86 HPGD (0.33) KDRKDM4EALDH1A1GAAHPGD
SCHEMBL13783377 0.85 SCD (0.32) MCHR1ALDH1A1HPGDCASP1
SCHEMBL13783378 0.83 KDM4A (0.35) HPGD
SCHEMBL13783379 0.83 IDO1 (0.36) CHRNA7MCHR1HPGD
SCHEMBL4330618 0.82 HPGD (0.38) CYP3A4METHPGD
Hydrochloric Acid SCHEMBL4323840 0.82 HPGD (0.37) CYP3A4HPGD
SCHEMBL13783381 0.80 CLK4 (0.39) CYP3A4KDM4EALDH1A1GAAHPGD
SCHEMBL4558204 0.78 PARP1 (0.34) CNR1HPGD

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 5 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-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 CHRNA7 224/4885KDR 1004/4885CYP3A4 502/4885

“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.