SCHEMBL2000189

SCHEMBL2000189

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1nc(NC2CCN(C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.45
CDK7 P50613 2/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK2 P24941 10/20 0.44
PRKCB P05771 6/20 0.44
PRKCA P17252 6/20 0.44
PRKCH P24723 6/20 0.44
PRKCQ Q04759 6/20 0.44
PRKCD Q05655 6/20 0.44
PRKCE Q02156 5/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
PIM1 P11309 2/20 0.44
MARK3 P27448 2/20 0.44
LTK P29376 2/20 0.44
GRK5 P34947 2/20 0.44
KDR P35968 2/20 0.44
GSK3A P49840 2/20 0.44
RPS6KA3 P51812 2/20 0.44

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
SCHEMBL1994647 0.88 CDK7 (0.51) JAK3CDK7CCNHMNAT1CDK2
SCHEMBL1991241 0.80 PRKCB (0.41) JAK3CDK7CCNHMNAT1CDK2
SCHEMBL1999111 0.79 PRKCH (0.54) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1994905 0.76 PRKCH (0.56) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1994928 0.75 PRKCB (0.44) JAK3CDK7CCNHMNAT1CDK2
SCHEMBL1991636 0.75 PRKCH (0.48) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1992096 0.74 PRKCH (0.53) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1995687 0.74 PRKCH (0.51) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1994377 0.74 PRKCH (0.59) JAK3CDK7CDK2PRKCBPRKCA
SCHEMBL1992528 0.74 PRKCH (0.59) JAK3CDK7CDK2PRKCBPRKCA

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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO JAK3 308/4885CDK7 946/4885CCNH 2872/4885

“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.