SCHEMBL4330618

SCHEMBL4330618

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TYMP P19971 1/20 0.34
CYP2A6 P11509 4/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4B O94953 2/20 0.32
KDM5C P41229 2/20 0.32
KDM5B Q9UGL1 2/20 0.32

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
Hydrochloric Acid SCHEMBL4323840 0.99 HPGD (0.37) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL4330599 0.86 HPGD (0.34) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL4341345 0.86 SCD (0.40) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL5983917 0.84 HPGD (0.33) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL13783377 0.82 SCD (0.32) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL4339796 0.82 CHRNA7 (0.39) HPGDCYP3A4MET
SCHEMBL4558559 0.82 SCD (0.33) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL4558343 0.82 HPGD (0.32) HPGDCASP3RAB9ASENP8SENP7
SCHEMBL13783381 0.82 CLK4 (0.39) HPGDCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL6013738 0.81 PARP1 (0.34) AURKADAPK3JAK2PRKD3MAP4K4

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
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 HPGD 2398/4885CASP3 315/4885RAB9A 4354/4885

“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.