SCHEMBL171590

SCHEMBL171590

COc1cncc(-c2ccc3nc(NC(=O)Nc4ccccc4C(=O)NC(C)C)cn3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 17/20 0.48
PIK3CG P48736 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CD O00329 1/20 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
SCHEMBL799139 0.90 RIPK1 (0.48) RIPK1PIK3CGPIK3CAPIK3CD
SCHEMBL799302 0.85 RIPK1 (0.49) RIPK1PIK3CA
SCHEMBL171905 0.83 PIK3CA (0.52) RIPK1PIK3CGPIK3CAPIK3CD
SCHEMBL12664447 0.81 PIK3CG (0.55) RIPK1PIK3CGPIK3CAPIK3CD
SCHEMBL799080 0.81 PIK3CD (0.46) RIPK1PIK3CGPIK3CD
SCHEMBL799359 0.79 ALDH1A1 (0.46)
SCHEMBL12664646 0.78 PIK3CA (0.57) RIPK1PIK3CGPIK3CAPIK3CD
SCHEMBL12664377 0.78 PIK3CG (0.52) RIPK1PIK3CGPIK3CAPIK3CD
SCHEMBL172130 0.77 RIPK1 (0.39) RIPK1
SCHEMBL799204 0.76 PIK3CG (0.53) RIPK1PIK3CGPIK3CAPIK3CD

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 3 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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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 RIPK1 1673/4885PIK3CG 16/4885PIK3CA 15/4885

“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.