SCHEMBL937609

SCHEMBL937609

N#Cc1cccc(-c2ccc3nc(N)nn3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.54
EGLN2 Q96KS0 1/20 0.48
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
PIK3CD O00329 3/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MAP4K4 O95819 1/20 0.44
GRM5 P41594 1/20 0.42
DHFR P00374 1/20 0.42
AHR P35869 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
TTK P33981 1/20 0.41
XDH P47989 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL12909577 0.79 PIK3CG (0.48) ADORA2APIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL936441 0.79 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMAP4K4
SCHEMBL938224 0.79 RAB9A (0.50) PIK3CDPIK3CGPIK3CAPIK3CBMAP4K4
SCHEMBL938836 0.79 PIK3CG (0.48) PIK3CDPIK3CGPIK3CAPIK3CBMAP4K4
Hydrochloric Acid SCHEMBL936509 0.78 PIK3CG (0.47) ADORA2APIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL614711 0.78 RET (0.61) ALDH1A3ADORA2AADORA1PIK3CDPIK3CG
SCHEMBL12909566 0.76 PIK3CG (0.62) ALDH1A3ADORA2APIK3CDPIK3CGPIK3CA
SCHEMBL12909573 0.76 PIK3CD (0.46) ADORA2AADORA1PIK3CDPIK3CGPIK3CA
SCHEMBL30013771 0.75 EGLN2 (0.58) ALDH1A3EGLN2MAP4K4GRM5
Hydrochloric Acid SCHEMBL938131 0.75 PIK3CG (0.61) ALDH1A3ADORA2APIK3CDPIK3CGPIK3CA

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 ALDH1A3 4625/4885EGLN2 2082/4885ADORA2A 629/4885

“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.