SCHEMBL5078734

SCHEMBL5078734

Cc1cc(-c2ccccn2)nc2cc(-c3nn(C4(C)CCC(N)CC4)c4ncnc(N)c34)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.40
SRC P12931 15/20 0.40
PRKDC P78527 14/20 0.40
PIK3CA P42336 13/20 0.40
PIK3CB P42338 13/20 0.40
PIK3CG P48736 13/20 0.40
ABL1 P00519 11/20 0.40
EGFR P00533 9/20 0.40
HCK P08631 9/20 0.40
KDR P35968 9/20 0.40
MTOR P42345 9/20 0.40
EPHB4 P54760 9/20 0.40
PI4KB Q9UBF8 4/20 0.38
BACE1 P56817 1/20 0.38
BTK Q06187 1/20 0.38
BMPR1B O00238 1/20 0.36
RIPK2 O43353 1/20 0.36
STK16 O75716 1/20 0.36
STK10 O94804 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL402040 0.82 PIK3CD (0.61) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL402191 0.78 PIK3CD (0.51) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL399768 0.78 PIK3CD (0.51) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL402041 0.77 SRC (0.43) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL400100 0.77 KDR (0.50) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL5316615 0.77 KDR (0.50) PIK3CDSRCPRKDCPIK3CAPIK3CB
Carbamic Acid SCHEMBL19244770 0.77 PIK3CD (0.58) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL19244961 0.76 KDR (0.55) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL5179813 0.75 PIK3CD (0.46) PIK3CDSRCPRKDCPIK3CAPIK3CB
SCHEMBL398358 0.75 PIK3CD (0.46) PIK3CDSRCPRKDCPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents OSI PHARMACEUTICALS, INC. 2008-01-17 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-20080014200-A1 Combined treatment with 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitor and anti-cancer agents IGF1R, IGFBP6, CDK6 PIK3CD 312/4885SRC 292/4885PRKDC 460/4885

“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.