SCHEMBL21072099

SCHEMBL21072099

CCOc1ncc(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ GAA P10253 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
SCHEMBL20329654 0.84 PIK3CD (0.43) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL23909948 0.82 KDM4E (0.39) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL23910057 0.81 KDM4E (0.44) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL23910101 0.81 CYP11B1 (0.44) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL21071523 0.80 CYP11B1 (0.57) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL23909982 0.78 AR (0.39) KDM4EALDH1A1USP2MAPTTDP1
SCHEMBL23910091 0.76 KDM4E (0.40) KDM4EALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL23909957 0.75 KDM4E (0.41) KDM4EALDH1A1USP2SMN1; SMN2NPSR1
SCHEMBL20329653 0.75 KDM4E (0.49) KDM4EALDH1A1USP2RET
SCHEMBL20329162 0.75 KDM4E (0.58) KDM4EALDH1A1USP2MAPTSMN1; SMN2

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 4 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
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — 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 (2 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
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 KDM4E 3325/4885ALDH1A1 440/4885USP2 2467/4885

“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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