SCHEMBL23910101

SCHEMBL23910101

CCOc1ncc(-c2ccc(N)cc2C#N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ ALOX5AP P20292 6/20 0.40
▸ FEN1 P39748 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ RET P07949 4/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 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
SCHEMBL23909948 0.86 KDM4E (0.39) CYP11B1CYP11B2KDM4EAAK1MAPT
SCHEMBL23909982 0.85 AR (0.39) ALOX5APFEN1KDM4EAAK1MAPT
SCHEMBL21072099 0.81 KDM4E (0.42) CYP11B1CYP11B2KDM4EMAPTTDP1
SCHEMBL20329654 0.79 PIK3CD (0.43) CYP11B1CYP11B2KDM4EMAPTALDH1A1
SCHEMBL21071523 0.78 CYP11B1 (0.57) CYP11B1CYP11B2KDM4EMAPTTDP1
SCHEMBL23916412 0.74 BRAF (0.34) ALOX5APFEN1AAK1MAPTTDP1
SCHEMBL23910057 0.73 KDM4E (0.44) CYP11B1CYP11B2ALOX5APFEN1KDM4E
SCHEMBL13514630 0.72 KDM4E (0.40) CYP11B1CYP11B2KDM4EAAK1MAPT
SCHEMBL23910091 0.72 KDM4E (0.40) KDM4EMAPTALDH1A1USP2RET
SCHEMBL23915999 0.71 ALOX5AP (0.39) CYP11B1CYP11B2ALOX5APFEN1KDM4E

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 CYP11B1 143/4885CYP11B2 79/4885ALOX5AP 419/4885

“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