Sugi Predict

Sugi Predict / Compounds / SCHEMBL4328679

SCHEMBL4328679

SCHEMBL4328679

O=C(Nc1c(-c2sccc2Cl)n(CCNc2ncnc3ccccc23)c2c(=O)[nH]cnc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ APP P05067 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LDHA P00338 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ NT5C2 P49902 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
SCHEMBL5983573 0.93 AURKA (0.37) PDPK1AURKAHDAC1HTTLMNA
SCHEMBL4333817 0.84 HTT (0.38) PDPK1AURKAHTTLMNAMAPK1
SCHEMBL4337663 0.83 PDPK1 (0.43) PDPK1AURKAHDAC1LMNABRD4
SCHEMBL13783372 0.80 PDPK1 (0.38) PDPK1MAPTKMT2ANPSR1
SCHEMBL13783381 0.79 CLK4 (0.39) HTTLMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL5982912 0.76 HTT (0.39) AURKAHTTLMNAMAPK1EGFR
SCHEMBL3938541 0.74 LDHA (0.35) AURKAHTTLMNAMAPK1EGFR
SCHEMBL4330586 0.72 SLC6A9 (0.33) BRD4KMT2A
SCHEMBL4339148 0.70 MAP3K7 (0.31) —
Hydrochloric Acid SCHEMBL4331991 0.69 MAP3K7 (0.31) —

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 8 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-1661896-A1 PYRROLOPYRIMIDINETHIONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 — — EP disclosed
EP-1661897-A1 PYRROLOPYRIMIDINONE DERIVATIVE Teijin Pharma Limited (JP) 2006-05-31 — — EP disclosed
US-20050153992-A1 Pyrrolopyrimidine thion derivatives TEIJIN PHARMA LIMITED (JP) 2005-07-14 — — US 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 (2 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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP PDPK1 837/4885AURKA 80/4885HDAC1 175/4885
US-20060160831-A1 Pyrrolopyrimidinone derivatives GSK3B, GSK3A, GSKIP PDPK1 458/4885AURKA 62/4885HDAC1 174/4885

“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.