SCHEMBL2000755

SCHEMBL2000755

O=C1NC(=O)C(c2c[nH]c3ccsc23)=C1c1nc(C2CCNCC2F)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 18/20 0.47
PRKCQ Q04759 18/20 0.47
PRKCD Q05655 18/20 0.47
PRKCB P05771 17/20 0.47
PRKCA P17252 17/20 0.47
PRKCE Q02156 15/20 0.47
PRKD3 O94806 3/20 0.47
PIM1 P11309 3/20 0.47
CDK7 P50613 3/20 0.47
MAP4K4 O95819 2/20 0.47
MARK3 P27448 2/20 0.47
LTK P29376 2/20 0.47
GRK5 P34947 2/20 0.47
KDR P35968 2/20 0.47
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
JAK3 P52333 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP2K1 Q02750 2/20 0.47
MST1R Q04912 2/20 0.47

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
SCHEMBL1994291 0.85 PRKCH (0.50) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL2000158 0.81 PRKCH (0.46) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1994647 0.80 CDK7 (0.51) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1992057 0.79 PRKCH (0.76) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1991636 0.77 PRKCH (0.48) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1994516 0.77 CAMK2D (0.46) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1993018 0.77 PRKCH (0.54) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1992070 0.77 PRKCH (0.57) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL12604693 0.76 PRKCH (0.65) PRKCHPRKCQPRKCDPRKCBPRKCA
SCHEMBL1992071 0.76 PRKCH (0.56) PRKCHPRKCQPRKCDPRKCBPRKCA

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
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

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 PRKCH 3138/4885PRKCQ 3598/4885PRKCD 2857/4885

“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.