SCHEMBL10107383

SCHEMBL10107383

COc1cccc(NC(=O)C2(C)CCN(c3ncnc4c3C(C)CN4)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 15/20 0.52
KIT P10721 2/20 0.44
LIMK1 P53667 7/20 0.44
PRKACA P17612 4/20 0.44
PRKACG P22612 4/20 0.44
PRKACB P22694 4/20 0.44
ROCK2 O75116 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK1 Q13464 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
SCHEMBL10107424 0.84 LIMK2 (0.45) LIMK2LIMK1PRKACAPRKACGPRKACB
SCHEMBL10107567 0.79 LIMK2 (0.57) LIMK2LIMK1PRKACAPRKACGPRKACB
SCHEMBL10107430 0.79 LIMK2 (0.56) LIMK2LIMK1PRKACAPRKACGPRKACB
SCHEMBL4296833 0.78 LIMK2 (0.80) LIMK2LIMK1PRKACAPRKACGPRKACB
SCHEMBL14073730 0.73 LIMK2 (0.58) LIMK2KDM4EMEN1TP53TSHR
SCHEMBL13951179 0.71 LIMK2 (0.70) LIMK2KITLIMK1ROCK2ROCK1
SCHEMBL1166738 0.70 ALDH1A1 (0.58) TP53TSHRKMT2A
SCHEMBL4302014 0.69 LIMK2 (0.59) LIMK2KITLIMK1PRKACAPRKACG
SCHEMBL4294262 0.68 LIMK2 (1.00) LIMK2LIMK1PRKACAPRKACGPRKACB
SCHEMBL4290392 0.68 LIMK2 (0.62) LIMK2LIMK1PRKACAPRKACGPRKACB

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
US-8193202-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-10-22 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-20090264450-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LIMK2, LIMK1, LIMA1 LIMK2 1/4885KIT 2104/4885LIMK1 2/4885

“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.