SCHEMBL9957233

SCHEMBL9957233

CSc1ncc(-c2ccnc(Nc3ccc(C#N)cc3)n2)c(C(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.50
GSK3B P49841 5/20 0.50
CDK4 P11802 4/20 0.50
DYRK1A Q13627 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IKBKB O14920 3/20 0.45
JAK2 O60674 1/20 0.43
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CCNK O75909 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CDK9 P50750 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
GRM5 P41594 2/20 0.40
MAOB P27338 1/20 0.40
CHUK O15111 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 0.85 KDM4E (0.52) CDK2GSK3BCDK4DYRK1AKDM4E
SCHEMBL9957490 0.84 KDM4E (0.51) CDK2GSK3BCDK4DYRK1AKDM4E
SCHEMBL10089584 0.79 PIK3CD (0.54) CDK2GSK3BCDK4DYRK1AMEN1
SCHEMBL9956478 0.75 CDK4 (0.53) CDK2GSK3BCDK4DYRK1AKDM4E
SCHEMBL10089585 0.70 PIK3C3 (0.49) CDK2GSK3BCDK4CCNKCCNC
SCHEMBL3697392 0.70 KCNH2 (0.58) CDK2GSK3BCDK4DYRK1AKDM4E
SCHEMBL2228210 0.69 GSK3B (0.53) CDK2GSK3BCDK4DYRK1AMEN1
SCHEMBL28794435 0.69 GSK3B (0.58) CDK2GSK3BCDK4DYRK1AMEN1
SCHEMBL4505095 0.69 CDK2 (0.74) CDK2GSK3BCDK4KCNH2CDK9
SCHEMBL2289774 0.69 CDK2 (0.58) CDK2GSK3BCDK4DYRK1AMEN1

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 CDK2 2400/4885GSK3B 912/4885CDK4 1560/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A CDK2 2365/4885GSK3B 951/4885CDK4 1488/4885

“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.