SCHEMBL1994647

SCHEMBL1994647

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1nc(NC2CCNCC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 13/20 0.51
CCNH P51946 12/20 0.51
MNAT1 P51948 12/20 0.51
PRKCB P05771 7/20 0.48
PRKCA P17252 6/20 0.48
PRKCH P24723 6/20 0.48
PRKCQ Q04759 6/20 0.48
PRKCD Q05655 6/20 0.48
PRKCE Q02156 5/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
PIM1 P11309 2/20 0.48
MARK3 P27448 2/20 0.48
LTK P29376 2/20 0.48
GRK5 P34947 2/20 0.48
KDR P35968 2/20 0.48
GSK3A P49840 2/20 0.48
RPS6KA3 P51812 2/20 0.48
JAK3 P52333 2/20 0.48
CDK5 Q00535 2/20 0.48

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
SCHEMBL2000189 0.88 JAK3 (0.45) CDK7CCNHMNAT1PRKCBPRKCA
SCHEMBL1994928 0.80 PRKCB (0.44) CDK7CCNHMNAT1PRKCBPRKCA
SCHEMBL2000755 0.80 PRKCH (0.47) CDK7CCNHMNAT1PRKCBPRKCA
SCHEMBL1992057 0.79 PRKCH (0.76) CDK7PRKCBPRKCAPRKCHPRKCQ
SCHEMBL1991636 0.78 PRKCH (0.48) CDK7PRKCBPRKCAPRKCHPRKCQ
SCHEMBL1991241 0.76 PRKCB (0.41) CDK7CCNHMNAT1PRKCBPRKCA
SCHEMBL1992070 0.75 PRKCH (0.57) CDK7PRKCBPRKCAPRKCHPRKCQ
SCHEMBL1998477 0.75 PRKCH (0.56) CDK7PRKCBPRKCAPRKCHPRKCQ
SCHEMBL2000158 0.75 PRKCH (0.46) CDK7CCNHMNAT1PRKCBPRKCA
SCHEMBL1991277 0.75 PRKCH (0.54) CDK7PRKCBPRKCAPRKCHPRKCQ

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
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 CDK7 946/4885CCNH 2872/4885MNAT1 2299/4885

“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.