SCHEMBL21072111

SCHEMBL21072111

CC(C)(C)c1cn(-c2ccc(N)cc2C#N)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL29637047 0.82 KDM4E (0.56) KDM4ELMNAMAPTGAAHSD17B10
SCHEMBL1038927 0.82 KDM4E (0.56) KDM4ELMNAMAPTGAAHSD17B10
SCHEMBL21071696 0.79 ALDH1A1 (0.51) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL21072066 0.74 KDM4E (0.50) KDM4ELMNAMAPTGAAHSD17B10
SCHEMBL25010531 0.72 GAA (0.43) KDM4EMAPTGAAHSD17B10ALDH1A1
SCHEMBL11899939 0.70 MAPT (0.42) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL21072185 0.70 KDM4E (0.46) KDM4ELMNAMAPTGAAHSD17B10
SCHEMBL21071963 0.70
SCHEMBL2828723 0.70 PSEN1 (0.43) KDM4ELMNAPSEN1PSEN2APH1B
SCHEMBL2333889 0.70 KDM4E (1.00) KDM4ELMNAMAPTGAAHSD17B10

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 4547/4885LMNA 2967/4885MAPT 904/4885
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 KDM4E 3325/4885LMNA 2335/4885MAPT 107/4885

“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.