SCHEMBL10107424

SCHEMBL10107424

Cc1ccc(NC(=O)C2(C)CCN(c3ncnc4c3C(C)CN4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 12/20 0.45
PAK1 Q13153 1/20 0.41
PDGFRB P09619 3/20 0.40
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39
LIMK1 P53667 2/20 0.39
ROCK2 O75116 1/20 0.39
MAPKAPK2 P49137 1/20 0.36
AKT3 Q9Y243 1/20 0.35

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
SCHEMBL10107383 0.84 LIMK2 (0.52) LIMK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL4299235 0.77 LIMK2 (0.71) LIMK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL13696944 0.69 TDP1 (0.53)
SCHEMBL14074130 0.67 LIMK2 (0.43) LIMK2
SCHEMBL26050285 0.67 NPC1 (0.49)
SCHEMBL14295213 0.67 AKT1 (0.47) AKT3
SCHEMBL2798957 0.66 KIT (0.50) AKT3
Hydrochloric Acid SCHEMBL2794976 0.63 AKT1 (0.67) AKT3
SCHEMBL30694492 0.60 CSF1R (0.57)
SCHEMBL20069638 0.60 FPR2 (0.48)

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 1/4885PAK1 119/4885PDGFRB 1718/4885

“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.