SCHEMBL942547

SCHEMBL942547

CC(=O)Nc1nc(C)c(-c2ccnc(C3(C)CC3)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.61
▸ PIK3CD O00329 14/20 0.53
▸ PIK3CG P48736 14/20 0.53
▸ PIK3CB P42338 13/20 0.53
▸ PIK3R1 P27986 1/20 0.51
▸ PIK3C3 Q8NEB9 2/20 0.47
▸ PIK3C2A O00443 1/20 0.47
▸ PIK3C2B O00750 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PI4KB Q9UBF8 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
SCHEMBL11938408 0.88 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL944398 0.83 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL12943751 0.82 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL13782176 0.81 PIK3CA (0.82) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL924512 0.80 PIK3CG (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL12943436 0.79 PIK3CA (0.70) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL2703529 0.79 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL11938366 0.79 PIK3CA (0.79) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL12961439 0.79 PIK3CA (0.69) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL12943534 0.78 PIK3CA (0.63) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448935-B1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2015-06-24 — — EP disclosed
EP-2448935-B1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2015-06-24 — — EP disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 — — EP disclosed
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 — — US disclosed
CN-102471332-A Substituted 2-carboxamide cycloaminoureas NOVARTIS AG 2012-05-23 — — CN disclosed
EP-2448935-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS Novartis AG (CH) 2012-05-09 — — EP disclosed
CN-101952282-A Thiazole derivatives as PI 3 kinase inhibitors NOVARTIS AG 2011-01-19 — — CN disclosed
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas NOVARTIS AG (CH) 2011-01-06 — — US disclosed
US-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas NOVARTIS AG (CH) 2011-01-06 — — US disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 — — WO disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 — — WO disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110003818-A1 Substituted 2-Carboxamide Cycloamino Ureas UCK2, ULK3, ULK2 PIK3CA 5/4885PIK3CD 9/4885PIK3CG 39/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CG 7/4885

“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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