SCHEMBL3460347

SCHEMBL3460347

CNC(=O)c1nc(-c2cccc(C(=O)NCc3ccc(OC)cc3)c2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.55
PIK3CA P42336 6/20 0.55
PIK3CG P48736 6/20 0.55
ATR Q13535 7/20 0.55
PRKDC P78527 2/20 0.55
PIK3CB P42338 3/20 0.54
KDM1A O60341 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MMP13 P45452 1/20 0.49
STAMBP O95630 1/20 0.49
COPS5 Q92905 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49

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
SCHEMBL3462065 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461445 0.92 AURKA (0.59) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461030 0.91 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461795 0.90 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460881 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3461280 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGATRPIK3CB
SCHEMBL3461603 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3459920 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3459849 0.89 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGATRPRKDC
SCHEMBL3460038 0.89 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGATRPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PIK3CD 375/4885PIK3CA 463/4885PIK3CG 477/4885

“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.