SCHEMBL937347

SCHEMBL937347

COc1ccc(-c2cc(C)c3nc(N)nn3c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.44
DHFR P00374 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
GAK O14976 1/20 0.42
JAK2 O60674 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 2/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 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
SCHEMBL938218 0.86 ALDH1A1 (0.53) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL937310 0.86 PIK3CG (0.50) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL935790 0.80 PIK3CD (0.60) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL3091705 0.77 PIK3CG (0.71) ALDH1A1HSD17B10PIK3CDPIK3CAPIK3CG
SCHEMBL12909575 0.75 DHFR (0.51) PDE10AKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL937520 0.74 DHFR (0.50) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL3229939 0.74 PIK3CG (0.50) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL24264987 0.74 RAD52 (0.49) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL936333 0.71 PIK3CG (0.51) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL936518 0.71 PIK3CG (0.51) PDE10AKDM4EALDH1A1NPC1RAB9A

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 16 patents. 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
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-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 PDE10A 1944/4885KDM4E 1968/4885ALDH1A1 3604/4885

“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.