SCHEMBL20329861

SCHEMBL20329861

COCc1ccc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ USP7 Q93009 2/20 0.36
▸ XDH P47989 1/20 0.36
▸ RET P07949 5/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL20329653 0.80 KDM4E (0.49) KDM4EALDH1A1USP2PIK3CDPIK3CA
SCHEMBL20329623 0.80 KDM4E (0.47) KDM4EALDH1A1USP2LMNAXDH
SCHEMBL23909957 0.78 KDM4E (0.41) KDM4EALDH1A1USP2PIK3CDPIK3CA
SCHEMBL20329654 0.78 PIK3CD (0.43) KDM4EALDH1A1USP2PIK3CDPIK3CA
SCHEMBL23909947 0.77 KDM1A (0.43) KDM4EALDH1A1USP2RETCYP11B1
SCHEMBL23910091 0.76 KDM4E (0.40) KDM4EALDH1A1USP2PIK3CDPIK3CA
SCHEMBL20329165 0.75 ALDH1A1 (0.43) KDM4EALDH1A1USP2LMNAMAPK1
SCHEMBL23910057 0.75 KDM4E (0.44) KDM4EALDH1A1USP2PIK3CDLMNA
SCHEMBL21072099 0.75 KDM4E (0.42) KDM4EALDH1A1USP2LMNAMAPK1
SCHEMBL20329860 0.74 PIK3CA (0.44) KDM4EALDH1A1USP2PIK3CDPIK3CA

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 KDM4E 4547/4885ALDH1A1 485/4885USP2 3984/4885

“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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