SCHEMBL805072

SCHEMBL805072

Cc1nccc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)sc3C2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PIK3CG P48736 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GCK P35557 4/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
P2RY1 P47900 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKDC P78527 1/20 0.39
F10 P00742 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
SCHEMBL798936 0.91 LMNA (0.44) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL798672 0.91 PIK3CG (0.44) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL10264879 0.87 PIK3CG (0.41) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL799282 0.87 PIK3CG (0.47) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL798914 0.85 PIK3CG (0.51) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL171964 0.84 PIK3CG (0.47) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL799149 0.84 LMNA (0.43) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL172152 0.84 LMNA (0.43) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL172043 0.83 PIK3CG (0.50) LMNAPIK3CGMEN1KMT2AGCK
SCHEMBL799343 0.83 LMNA (0.42) LMNAPIK3CGMEN1KMT2AGCK

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 1 patent. 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

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 4258/4885PIK3CG 16/4885MEN1 2694/4885

“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.