SCHEMBL20329451

SCHEMBL20329451

CCOc1ccc(-c2cc(O)c(N)cc2-c2nnn[nH]2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGES O14684 3/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 3/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32

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
SCHEMBL21071795 0.89 PIK3CA (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL20329856 0.84 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL20329881 0.82 ERN1 (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL20329435 0.79 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL21071512 0.77 KCNH2 (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL23909996 0.76 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL21071858 0.76 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL21071716 0.76 CDK2 (0.36) CDK2GSK3BMAPTTDP1PTGES
SCHEMBL23916020 0.76 PDE5A (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL20329888 0.73 SMN1; SMN2 (0.35) PTGESMEN1KMT2ALMNAGCK

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
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 US disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 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 (2 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 PIK3CA 3273/4885PIK3CD 3809/4885PIK3CB 3621/4885
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 PIK3CA 4508/4885PIK3CD 4192/4885PIK3CB 4001/4885

“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.