SCHEMBL9997011

SCHEMBL9997011

Nc1nc2ccc(-c3ccc(C(=O)O)nc3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.48
PIK3CD O00329 9/20 0.48
PIK3CA P42336 8/20 0.48
PIK3CB P42338 3/20 0.48
MAP4K4 O95819 2/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
GRK5 P34947 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
ACVR1 Q04771 1/20 0.46
PTK2 Q05397 1/20 0.46
TYRO3 Q06418 1/20 0.46
MAP4K2 Q12851 1/20 0.46
DYRK1A Q13627 1/20 0.46
IKBKE Q14164 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
P4HA1 P13674 1/20 0.38

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
SCHEMBL1932766 0.80 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL3095111 0.80 PIK3CD (0.51) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL9996846 0.77 CSNK1D (0.45) PIK3CGPIK3CDRETTTKALDH1A1
SCHEMBL9998997 0.76 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBTTK
SCHEMBL936653 0.75 PIK3CG (0.51) PIK3CGPIK3CDPIK3CAPIK3CBTTK
SCHEMBL614711 0.75 RET (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL3664183 0.74 PIK3CG (0.45) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL936693 0.74 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBMAP4K4
SCHEMBL1951045 0.74 MAP4K4 (0.55) MAP4K4P4HA1MIFP4HTMKDM4E
SCHEMBL9997048 0.74 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR PIK3CG 1972/4885PIK3CD 1061/4885PIK3CA 1062/4885

“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.