SCHEMBL4334996

SCHEMBL4334996

O=c1[nH]cnc2c(-c3cccnc3)cn(Cc3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 5/20 0.52
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM1 P11229 1/20 0.41
DYRK1A Q13627 2/20 0.40
BRD4 O60885 2/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL13783642 0.83 BRD4 (0.39) DHPSALDH1A1CHRM1BRD4MAPT
SCHEMBL4337751 0.82 BRD4 (0.41) BRD4
SCHEMBL4344213 0.81 KMT2A (0.50) DHPSCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL22086127 0.81 SRC (0.52) L3MBTL1ALDH1A1DYRK1ABRD4MAPT
SCHEMBL4330610 0.81 BRD4 (0.39) CHRM1BRD4MAPT
SCHEMBL4326477 0.80 GAA (0.47) CYP3A4L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4340378 0.77 ALDH1A1 (0.43) DHPSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL4344210 0.77 BRD4 (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2232568 0.76 LMNA (0.47) CHRM1MAPT
SCHEMBL4335098 0.75 BRD4 (0.41) CYP3A4CYP2C19BRD4

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 4 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-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 DHPS 2891/4885CYP2E1 402/4885CYP3A4 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.