SCHEMBL23909947

SCHEMBL23909947

CN(C)c1ccc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.43
▸ MAP3K11 Q16584 2/20 0.42
▸ TDO2 P48775 1/20 0.40
▸ APP P05067 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ ADK P55263 2/20 0.36
▸ RET P07949 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 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
SCHEMBL23909957 0.81 KDM4E (0.41) TDO2ALDH1A1KDM4EUSP2ALOX5AP
SCHEMBL30607674 0.80 ESR2 (0.51) KDM1AMAP3K11TDO2APPALDH1A1
SCHEMBL23910057 0.78 KDM4E (0.44) ALDH1A1KDM4EUSP2CYP11B1CYP11B2
SCHEMBL20329653 0.78 KDM4E (0.49) TDO2ALDH1A1KDM4EUSP2RET
SCHEMBL20329861 0.77 KDM4E (0.46) ALDH1A1KDM4EUSP2CYP11B1CYP11B2
SCHEMBL23910053 0.76 LRRK2 (0.47) KDM1AALDH1A1KDM4EUSP2ALOX5AP
SCHEMBL20329654 0.76 PIK3CD (0.43) ALDH1A1KDM4EUSP2CYP11B1CYP11B2
SCHEMBL23910065 0.76 ALOX5AP (0.41) ALDH1A1KDM4EUSP2CYP11B1CYP11B2
SCHEMBL21071606 0.75 ALOX5AP (0.46) ALOX5APFEN1
SCHEMBL23910121 0.75 ALOX5AP (0.41) ALDH1A1KDM4EUSP2CYP11B1CYP11B2

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 KDM1A 4098/4885MAP3K11 2641/4885TDO2 498/4885

“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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