SCHEMBL23910091

SCHEMBL23910091

CCCOc1ccc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RET P07949 6/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PI4KA P42356 2/20 0.36
▸ PIK3CG P48736 2/20 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
SCHEMBL20329654 0.90 PIK3CD (0.43) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL20329653 0.84 KDM4E (0.49) KDM4EALDH1A1USP2RETPIK3CD
SCHEMBL20329860 0.81 PIK3CA (0.44) KDM4EALDH1A1USP2RETS1PR1
SCHEMBL23909957 0.77 KDM4E (0.41) KDM4EALDH1A1USP2PIK3CDPIK3CA
SCHEMBL21072099 0.76 KDM4E (0.42) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL20329861 0.76 KDM4E (0.46) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL23915999 0.74 ALOX5AP (0.39) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL23910057 0.74 KDM4E (0.44) KDM4EALDH1A1USP2MEN1MAPT
SCHEMBL23909947 0.74 KDM1A (0.43) KDM4EALDH1A1USP2RETHPGD
SCHEMBL16322624 0.73 KDM4E (0.50) KDM4EALDH1A1USP2MEN1MAPT

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 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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