SCHEMBL4558559

SCHEMBL4558559

CC1CCCCC1.NC(=O)CCn1c(-c2sccc2Cl)c(-c2cccnc2)c2nc[nH]c(=O)c21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.33
ITK Q08881 2/20 0.33
INSR P06213 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
KDM4A O75164 2/20 0.31
KDM4B O94953 2/20 0.31
KDM5C P41229 2/20 0.31
KDM5B Q9UGL1 2/20 0.31
HPGD P15428 2/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CNR1 P21554 1/20 0.31
DHPS P49366 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4330618 0.82 HPGD (0.38) KDM4AKDM4BKDM5CKDM5BHPGD
SCHEMBL4558204 0.82 PARP1 (0.34) KDM4AKDM4BKDM5CKDM5BHPGD
Hydrochloric Acid SCHEMBL4323840 0.81 HPGD (0.37) KDM4AKDM4BKDM5CKDM5BHPGD
SCHEMBL4341345 0.81 SCD (0.40) SCDKDM4AKDM4BKDM5CKDM5B
SCHEMBL4330599 0.81 HPGD (0.34) KDM4AKDM4BKDM5CKDM5BHPGD
SCHEMBL13783379 0.79 IDO1 (0.36) SCDPDE7AKDM4AKDM4BKDM5C
SCHEMBL13783378 0.78 KDM4A (0.35) KDM4AKDM4BKDM5CKDM5BHPGD
SCHEMBL13783377 0.77 SCD (0.32) SCDHPGDCASP3RAB9ASENP8
SCHEMBL5983917 0.77 HPGD (0.33) SCDKDM4AKDM4BKDM5CKDM5B
SCHEMBL4339796 0.76 CHRNA7 (0.39) HPGDCNR1ALDH1A1

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 SCD 511/4885ITK 3560/4885INSR 369/4885

“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.