SCHEMBL9956612

SCHEMBL9956612

CSc1ncc(C(C)=O)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 12/20 0.75
KDM4A O75164 12/20 0.75
HIF1AN Q9NWT6 12/20 0.75
KDM2A Q9Y2K7 12/20 0.75
KDM4D Q6B0I6 11/20 0.75
KDM5B Q9UGL1 10/20 0.47
KDM3B Q7LBC6 10/20 0.47
LMNA P02545 1/20 0.43
PIM1 P11309 1/20 0.43
TTK P33981 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL4766387 0.86 KDM6B (1.00) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL29351316 0.84 KDM6B (0.73) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL10783573 0.77 KDM6B (0.57) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL13525026 0.76 KDM6B (0.61) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL4001347 0.75 KDM6B (0.59) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL3577936 0.73 KDM6B (0.58) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL2072718 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL2713726 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL19725083 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D
SCHEMBL16466339 0.72 KDM6B (0.56) KDM6BKDM4AHIF1ANKDM2AKDM4D

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 KDM6B 2422/4885KDM4A 1684/4885HIF1AN 1002/4885
US-20130338159-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A KDM6B 2429/4885KDM4A 1662/4885HIF1AN 972/4885

“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.