SCHEMBL23916020

SCHEMBL23916020

CCCOc1ccc(-c2ccc(N)cc2-c2nnn[nH]2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGES O14684 4/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 3/20 0.33

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
SCHEMBL20329856 0.91 PIK3CA (0.40) TP53MEN1MAPTKMT2APTGES
SCHEMBL20329236 0.86 KCNH2 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL21071491 0.83 PDE10A (0.42) ALDH1A1PTGESPIK3CDPIK3CAPIK3CB
SCHEMBL23916420 0.80 HPGDS (0.36) MAPTNPC1RAB9APIK3CDPIK3CA
SCHEMBL21072312 0.79 MAPT (0.33) TP53GAAKDM4EMAPTTSHR
SCHEMBL23916415 0.79 PIK3CD (0.41) MAPTATMPIK3CDPIK3CAPIK3CB
SCHEMBL23915989 0.77 PDE3B (0.31)
SCHEMBL23916495 0.77 MAP4K4 (0.33) PIK3CAPI4KB
SCHEMBL23910009 0.77 MAP3K11 (0.41) GAAPOLBNPC1RAB9APIK3CA
SCHEMBL20329435 0.76 PIK3CA (0.39) MAPTPTGESPIK3CDPIK3CAPIK3CB

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 PDE5A 859/4885TP53 4333/4885GAA 521/4885

“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.