SCHEMBL13781913

SCHEMBL13781913

Cc1nc(NC(=O)N2CC(F)(F)C[C@H]2C(N)=O)sc1-c1ccnc(C2(C)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 1.00
▸ PIK3CB P42338 9/20 0.59
▸ PIK3CD O00329 9/20 0.59
▸ PIK3CG P48736 8/20 0.59
▸ GAK O14976 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PIK3R1 P27986 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL11938366 0.85 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938367 0.83 PIK3CA (0.78) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL12943436 0.82 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL12961439 0.82 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL28538508 0.80 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938402 0.80 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL31719691 0.78 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL11938399 0.77 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL12943534 0.77 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGGAK
SCHEMBL942547 0.77 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 — — WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — US disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CB 4/4885PIK3CD 3/4885

“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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