SCHEMBL799343

SCHEMBL799343

Cc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)nc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ROCK2 O75116 7/20 0.41
GCK P35557 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CG P48736 4/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL799348 0.93 ROCK2 (0.39) LMNAROCK2GCKMEN1KMT2A
SCHEMBL798950 0.93 ROCK2 (0.39) LMNAROCK2GCKMEN1KMT2A
SCHEMBL172152 0.89 LMNA (0.43) LMNAROCK2GCKMEN1KMT2A
SCHEMBL799149 0.89 LMNA (0.43) LMNAROCK2GCKMEN1KMT2A
SCHEMBL799155 0.85 ROCK2 (0.39) ROCK2GCKPIK3CGKDM4ENPC1
SCHEMBL799096 0.84 ROCK2 (0.48) LMNAROCK2MEN1KMT2APIK3CG
SCHEMBL799148 0.83 LMNA (0.43) LMNAROCK2GCKMEN1KMT2A
SCHEMBL805072 0.83 LMNA (0.44) LMNAGCKMEN1KMT2APIK3CG
SCHEMBL799272 0.83 PIK3CG (0.51) LMNAROCK2GCKPIK3CGKDM4E
SCHEMBL799051 0.82 PIK3CG (0.47) LMNAROCK2GCKMEN1KMT2A

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 LMNA 4258/4885ROCK2 2264/4885GCK 786/4885

“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.