SCHEMBL23916015

SCHEMBL23916015

CCn1cc(-c2ccc(N)cc2-c2nnn[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.43
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
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AXL P30530 2/20 0.35
MAPK1 P28482 1/20 0.34
PIM1 P11309 3/20 0.34

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
SCHEMBL21072297 0.84 AXL (0.51) LRRK2AXLBTKALK
SCHEMBL14217428 0.76 ALDH1A1 (0.34) ROCK2ROCK1MAPK1DYRK1A
SCHEMBL21072312 0.75 MAPT (0.33)
SCHEMBL23915989 0.75 PDE3B (0.31) PDE3BPDE3A
SCHEMBL23916489 0.74 ERCC1 (0.39) PDE3BPDE3A
SCHEMBL20329856 0.73 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL23916420 0.73 HPGDS (0.36) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL23916490 0.72 MTOR (0.37) PIK3CA
SCHEMBL21071957 0.72 CYP11B1 (0.39) PRMT5WDR77PRKACAROCK2ROCK1
SCHEMBL23916377 0.71 BRAF (0.39)

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 LRRK2 4268/4885PIK3CA 3273/4885PIK3CD 3809/4885

“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.