SCHEMBL1569134

SCHEMBL1569134

O=C(O)c1ccnc(N2CCNC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.55
KDM4C Q9H3R0 18/20 0.54
KDM2B Q8NHM5 5/20 0.54
KDM5A P29375 14/20 0.51
KDM5B Q9UGL1 12/20 0.51
KDM4A O75164 4/20 0.50
KDM5C P41229 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 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
SCHEMBL1568266 0.83 KDM4C (0.50) PIK3CAKDM4CKDM5AKDM5BKDM5C
SCHEMBL17263330 0.80 PIK3CA (0.61) PIK3CA
SCHEMBL24473869 0.79 ALDH1A1 (0.56) PIK3CAKDM4CKDM2BKDM5AKDM5B
SCHEMBL28466905 0.77 PIK3CA (0.68) PIK3CAKDM4CKDM2BKDM5AKDM5B
SCHEMBL20909892 0.76 CCR1 (0.47)
SCHEMBL1516867 0.74 PIK3CA (0.74) PIK3CAKDM4CKDM2BKDM5AKDM5B
SCHEMBL31143236 0.74 PIK3CA (0.74) PIK3CAKDM4CKDM2BKDM5AKDM5B
SCHEMBL30422164 0.74 ALDH1A1 (0.61)
SCHEMBL12169427 0.74 ALDH1A1 (0.61)
Hydrochloric Acid SCHEMBL1252523 0.73 PIK3CA (0.72) PIK3CAKDM4CKDM2BKDM5AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
EP-2307379-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PIK3CA 2130/4885KDM4C 533/4885KDM2B 972/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PIK3CA 2130/4885KDM4C 533/4885KDM2B 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.