SCHEMBL13201951

SCHEMBL13201951

COc1cccc(-c2nc(N3CCOCC3)nc(Nc3cccnc3)c2C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.51
▸ SRC P12931 1/20 0.48
▸ CCNT1 O60563 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ MTOR P42345 3/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK10 P53779 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
SCHEMBL1818372 0.93 PIK3CA (0.56) PIK3CASRCCCNT1CDK9CTSL
SCHEMBL12656402 0.90 PIK3CA (0.48) PIK3CASRCCTSLCTSBCTSS
SCHEMBL1831467 0.87 PIK3CA (0.54) PIK3CASRCCTSLCTSBCTSS
SCHEMBL2470838 0.87 PIK3CA (0.52) PIK3CASRCCTSLCTSBCTSS
SCHEMBL12656401 0.86 PIK3CA (0.51) PIK3CASRCCTSLCTSBCTSS
SCHEMBL1831465 0.86 PIK3CA (0.53) PIK3CASRCCTSLCTSBCTSS
SCHEMBL1845116 0.86 PIK3CA (0.51) PIK3CASRCCTSLCTSBCTSS
SCHEMBL13219404 0.86 PIK3CA (0.51) PIK3CASRCCTSLCTSBCTSS
SCHEMBL13201952 0.85 PIK3CA (0.52) PIK3CASRCCTSLCTSBCTSS
SCHEMBL1843086 0.80 PIK3CA (0.46) PIK3CASRCCTSLCTSBCTSS

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-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 — — US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 — — 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-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA PIK3CA 8/4885SRC 330/4885CCNT1 1823/4885

“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.

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