SCHEMBL23910065

SCHEMBL23910065

CC(F)(F)c1ccc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 5/20 0.41
▸ FEN1 P39748 5/20 0.41
▸ MAP4K4 O95819 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ GABRA1 P14867 4/20 0.37
▸ GABRG2 P18507 4/20 0.37
▸ GABRB3 P28472 4/20 0.37
▸ GABRA2 P47869 4/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GCK P35557 1/20 0.36
▸ GCKR Q14397 1/20 0.36
▸ XDH P47989 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35

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
SCHEMBL21071606 0.89 ALOX5AP (0.46) ALOX5APFEN1MAP4K4PIK3CAKCNH2
SCHEMBL23915999 0.86 ALOX5AP (0.39) ALOX5APFEN1MAP4K4PIK3CAKCNH2
SCHEMBL23909957 0.79 KDM4E (0.41) ALOX5APFEN1PIK3CAPI4KBKDM4E
SCHEMBL23910112 0.78 ALOX5AP (0.44) ALOX5APFEN1GABRA1GABRG2GABRB3
SCHEMBL23910057 0.76 KDM4E (0.44) ALOX5APFEN1MAP4K4KDM4EUSP2
SCHEMBL23910121 0.76 ALOX5AP (0.41) ALOX5APFEN1MAP4K4KDM4EUSP2
SCHEMBL20329653 0.76 KDM4E (0.49) PIK3CAKCNH2PI4KBKDM4EUSP2
SCHEMBL23909947 0.76 KDM1A (0.43) ALOX5APFEN1KDM4EUSP2ALDH1A1
SCHEMBL23910053 0.74 LRRK2 (0.47) ALOX5APFEN1MAP4K4PIK3CAKCNH2
SCHEMBL20329654 0.74 PIK3CD (0.43) PIK3CAPI4KBGABRG2GABRB3GABRA5

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 ALOX5AP 419/4885FEN1 4761/4885MAP4K4 2906/4885

“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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