SCHEMBL9957490

SCHEMBL9957490

CCc1nc(SC)ncc1-c1ccnc(Nc2ccc(C#N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
CDK4 P11802 4/20 0.51
CDK2 P24941 4/20 0.51
GSK3B P49841 2/20 0.51
DYRK1A Q13627 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IKBKB O14920 3/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
JAK2 O60674 1/20 0.44
PIK3C3 Q8NEB9 6/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CG P48736 2/20 0.41
GRM5 P41594 2/20 0.41
MAOB P27338 1/20 0.41
CHUK O15111 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL9956181 0.86 KDM4E (0.52) KDM4ECDK4CDK2GSK3BDYRK1A
SCHEMBL9957233 0.84 CDK2 (0.50) KDM4ECDK4CDK2GSK3BDYRK1A
SCHEMBL9957787 0.80 PIK3C3 (0.61) CDK4CDK2GSK3BDYRK1AMEN1
SCHEMBL9956478 0.76 CDK4 (0.53) KDM4ECDK4CDK2GSK3BDYRK1A
SCHEMBL10089585 0.75 PIK3C3 (0.49) CDK4CDK2GSK3BPIK3C3PIK3CD
SCHEMBL9957504 0.74 PIK3C3 (0.74) CDK2PIK3C3PIK3CDPIK3CAPIK3CG
SCHEMBL9957057 0.73 PIK3C3 (0.76) CDK4CDK2GSK3BDYRK1AMEN1
SCHEMBL3697392 0.71 KCNH2 (0.58) KDM4ECDK4CDK2GSK3BDYRK1A
SCHEMBL28794435 0.70 GSK3B (0.58) CDK4CDK2GSK3BDYRK1AMEN1
SCHEMBL2287386 0.70 CDK2 (0.58) CDK4CDK2MEN1KMT2AIKBKB

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 12 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-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-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 KDM4E 1589/4885CDK4 1560/4885CDK2 2400/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A KDM4E 1638/4885CDK4 1488/4885CDK2 2365/4885

“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.