SCHEMBL4340378

SCHEMBL4340378

O=c1[nH]cnc2c(-c3cccnc3)c(Cl)n(Cc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PNP P00491 1/20 0.40
DHPS P49366 4/20 0.40
MAPT P10636 2/20 0.40
TYMP P19971 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL4337828 0.83 TBXAS1 (0.41) MAPTTYMP
SCHEMBL4334996 0.77 DHPS (0.52) ALDH1A1SMN1; SMN2CYP2E1CYP3A4CYP2D6
SCHEMBL4224597 0.74 DPP4 (0.44) ALDH1A1KDM4EPNPMAPTHTT
SCHEMBL4339090 0.72 BACE1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4330618 0.72 HPGD (0.38) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL4323840 0.71 HPGD (0.37) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL4328674 0.70 TYMP (0.57) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL4323903 0.70 TBXAS1 (0.39)
SCHEMBL4331592 0.69 TYMP (0.42) ALDH1A1KDM4EHSD17B10CYP3A4CYP2A6
SCHEMBL22086127 0.68 SRC (0.52) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT

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 ALDH1A1 2940/4885SMN1; SMN2 3623/4885KDM4E 1531/4885

“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.