SCHEMBL5556428

SCHEMBL5556428

NC(=O)c1ccsc1[C@@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.48
CHEK1 O14757 2/20 0.47
PARP2 Q9UGN5 4/20 0.44
CSF1R P07333 2/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
BTK Q06187 1/20 0.44
PARP3 Q9Y6F1 3/20 0.43
DYRK1A Q13627 2/20 0.43
TNKS O95271 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL4206522 0.82 MEN1 (0.44) PARP1CHEK1PARP2IKBKBCHUK
SCHEMBL20521813 0.80 MAPT (0.52) MAPTKMT2AMAPK10HTTMEN1
SCHEMBL31227274 0.74 CSF1R (0.57) PARP1PARP2CSF1RIKBKBCHUK
SCHEMBL31227227 0.74 CSF1R (0.57) PARP1PARP2CSF1RIKBKBCHUK
SCHEMBL3649878 0.74 CSF1R (0.57) PARP1PARP2CSF1RIKBKBCHUK
SCHEMBL17164879 0.73 MAPT (0.44) PARP1MAPTKMT2AMAPK10HTT
Hydrochloric Acid SCHEMBL16445630 0.72 CSF1R (0.56) PARP1PARP2CSF1RIKBKBCHUK
SCHEMBL13505489 0.71
SCHEMBL13505287 0.71
SCHEMBL13505285 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 PARP1 952/4885CHEK1 1/4885PARP2 1170/4885

“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.