SCHEMBL23910053

SCHEMBL23910053

CS(=O)(=O)c1ccc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.47
▸ PI4KB Q9UBF8 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIP5K1C O60331 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ KDM1A O60341 1/20 0.40
▸ MAP4K4 O95819 3/20 0.40
▸ MINK1 Q8N4C8 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ STS P08842 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23909957 0.79 KDM4E (0.41) PI4KBPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL23909969 0.76 PIK3CG (0.43) LRRK2PI4KBPIK3CDPIK3CBPI4KA
SCHEMBL23910057 0.76 KDM4E (0.44) PIK3CDMAP4K4ALOX5APFEN1KDM4E
SCHEMBL20329653 0.76 KDM4E (0.49) PI4KBPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL23909947 0.76 KDM1A (0.43) KDM1AALOX5APFEN1KDM4EUSP2
SCHEMBL20329654 0.74 PIK3CD (0.43) PI4KBPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL23910065 0.74 ALOX5AP (0.41) PI4KBMAP4K4MINK1ALOX5APFEN1
SCHEMBL23910121 0.73 ALOX5AP (0.41) PIK3CDMAP4K4ALOX5APFEN1KDM4E
SCHEMBL21071606 0.73 ALOX5AP (0.46) PI4KBPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL30101062 0.73 KDM4E (0.48) ALOX5APFEN1STSKDM4EUSP2

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 2 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

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 4268/4885PI4KB 3755/4885PIK3CD 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.

Send feedback