SCHEMBL5983573

SCHEMBL5983573

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.37
HDAC1 Q13547 2/20 0.35
MAPK1 P28482 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
EGFR P00533 1/20 0.35
APP P05067 1/20 0.35
PDPK1 O15530 1/20 0.33
BRD4 O60885 1/20 0.33
PSMD14 O00487 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LDHA P00338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK8 P45983 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4328679 0.93 PDPK1 (0.37) AURKAHDAC1MAPK1HTTLMNA
SCHEMBL5982912 0.84 HTT (0.39) AURKAMAPK1HTTLMNAEGFR
SCHEMBL6447416 0.82 KMT2A (0.36) LMNAPDPK1NPC1RAB9AKDM4E
SCHEMBL4333817 0.77 HTT (0.38) AURKAMAPK1HTTLMNAEGFR
SCHEMBL4337663 0.76 PDPK1 (0.43) AURKAHDAC1LMNAPDPK1BRD4
SCHEMBL5991907 0.76 EPHX2 (0.37) LMNAKDM4EMAPTKMT2A
SCHEMBL5990532 0.75 NPC1 (0.36) LMNANPC1RAB9AKDM4EKMT2A
SCHEMBL4558520 0.75 PDPK1 (0.39) LMNAPDPK1NPC1RAB9AKMT2A
SCHEMBL13783372 0.73 PDPK1 (0.38) PDPK1MAPTKMT2A
SCHEMBL5983301 0.73 SLC6A9 (0.33) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661896-A1 PYRROLOPYRIMIDINETHIONE 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 (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-20050153992-A1 Pyrrolopyrimidine thion derivatives GSK3B, GSK3A, GSKIP AURKA 80/4885HDAC1 175/4885MAPK1 1415/4885

“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.