SCHEMBL20329621

SCHEMBL20329621

CCn1cc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.47
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ FEN1 P39748 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ PRKACA P17612 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PRKACB P22694 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ PRMT5 O14744 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
SCHEMBL21071834 0.82 AXL (0.47) LRRK2FEN1KDM4EUSP2ALDH1A1
SCHEMBL19521382 0.73 BRD4 (0.39) CREBBPPRMT5WDR77
SCHEMBL18520179 0.73 PIK3CD (0.55) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25010538 0.72 KDM4E (0.44) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL21072099 0.71 KDM4E (0.42) KDM4EUSP2ALDH1A1LMNA
SCHEMBL23909958 0.71 IRAK4 (0.42) IRAK4PRMT5WDR77PDE3BPDE3A
SCHEMBL23916015 0.71 LRRK2 (0.43) LRRK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL23910057 0.71 KDM4E (0.44) PIK3CDFEN1KDM4EUSP2ALDH1A1
SCHEMBL30101062 0.70 KDM4E (0.48) FEN1KDM4EUSP2ALDH1A1LMNA
SCHEMBL17785915 0.70 JAK2 (0.38) LRRK2KDM5AIRAK4CREBBPPRKACA

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 3 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
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 (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 4268/4885PIK3CD 3809/4885PIK3CA 3273/4885

“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.

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