SCHEMBL936441

SCHEMBL936441

Cc1cccc(-c2ccc3nc(N)nn3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.51
PIK3CD O00329 10/20 0.51
PIK3CA P42336 6/20 0.51
PIK3CB P42338 2/20 0.51
RAB9A P51151 3/20 0.47
MAP4K4 O95819 2/20 0.42
NPC1 O15118 2/20 0.42
PAK4 O96013 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
GRK5 P34947 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
ACVR1 Q04771 1/20 0.42
PTK2 Q05397 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAP4K2 Q12851 1/20 0.42
DYRK1A Q13627 1/20 0.42
IKBKE Q14164 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL938836 0.82 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL12909577 0.82 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL938224 0.82 RAB9A (0.50) PIK3CGPIK3CDPIK3CAPIK3CBRAB9A
SCHEMBL12909566 0.82 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBRAB9A
Hydrochloric Acid SCHEMBL936509 0.81 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL17244435 0.81 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL614711 0.81 RET (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
Hydrochloric Acid SCHEMBL938131 0.81 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBRAB9A
SCHEMBL799223 0.80 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL936107 0.80 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBJAK2

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 PIK3CG 11/4885PIK3CD 6/4885PIK3CA 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.