SCHEMBL935790

SCHEMBL935790

COc1ccc(-c2ccc3nc(N)nn3c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.60
PIK3CG P48736 5/20 0.60
PIK3CA P42336 4/20 0.60
PIK3CB P42338 2/20 0.50
ALDH1A3 P47895 1/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL936333 0.90 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A3
SCHEMBL936518 0.90 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A3
SCHEMBL937905 0.88 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBALDH1A3
SCHEMBL937097 0.88 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL12909567 0.87 PIK3CG (0.49) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
Hydrochloric Acid SCHEMBL937774 0.86 PIK3CG (0.48) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL2788869 0.85 TSHR (0.52) PIK3CDPIK3CGPIK3CAKDM4EALDH1A1
SCHEMBL9997042 0.83 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL3229939 0.83 PIK3CG (0.50) PIK3CDPIK3CGPIK3CAPIK3CBKDM4E
SCHEMBL12909575 0.81 DHFR (0.51) PIK3CDPIK3CGPIK3CAKDM4EALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP claimed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US claimed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US claimed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP claimed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO claimed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 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-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK PIK3CD 19/4885PIK3CG 55/4885PIK3CA 15/4885
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 PIK3CD 6/4885PIK3CG 11/4885PIK3CA 9/4885

“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.