SCHEMBL9956188

SCHEMBL9956188

CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccc(C#N)cc3)n2)c(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.54
▸ PIK3C3 Q8NEB9 3/20 0.54
▸ PIP5K1C O60331 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PIK3R4 Q99570 1/20 0.49
▸ PIP5K1A Q99755 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ CNR2 P34972 2/20 0.46
▸ GSK3B P49841 5/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ GSK3A P49840 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ IDH1 O75874 4/20 0.43
▸ IDH2 P48735 3/20 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
SCHEMBL9957034 0.88 PIK3C3 (0.68) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL10089584 0.86 PIK3CD (0.54) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9957787 0.86 PIK3C3 (0.61) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9956938 0.84 PIK3C3 (0.52) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9957195 0.83 PIK3C3 (0.79) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9957785 0.72 PIK3C3 (0.83) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9957247 0.70 PIK3C3 (0.83) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9957623 0.70 PIK3C3 (1.00) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL9956230 0.69 PIK3C3 (0.79) PIK3CDPIK3C3PIP5K1CPIK3CAPIK3CB
SCHEMBL3380837 0.68 CNR2 (0.70) CNR2GSK3BGSK3ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 — — EP disclosed
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 — — EP disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 — — US disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 — — US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 — — US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 — — US disclosed
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2013-12-19 — — US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 — — EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 — — WO disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 — — WO 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3CD 39/4885PIK3C3 210/4885PIP5K1C 229/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A PIK3CD 36/4885PIK3C3 263/4885PIP5K1C 215/4885

“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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