SCHEMBL23910088

SCHEMBL23910088

N#Cc1cc(N)ccc1-n1ccc(CC(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 15/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
JAK2 O60674 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL23910122 0.84 KDM4E (0.50) KDM4ELMNAGAAMAPTHSD17B10
SCHEMBL23909980 0.81 ALDH1A1 (0.49) LMNAGAAMAPTARALDH1A1
SCHEMBL21072066 0.76 KDM4E (0.50) KDM4ELMNAGAAMAPTHSD17B10
SCHEMBL25011674 0.72 GAA (0.41) KDM4EGAAMAPTHSD17B10ALDH1A1
SCHEMBL23910094 0.71
SCHEMBL20265273 0.69 KDM4E (0.55) KDM4ELMNAGAAMAPTHSD17B10
SCHEMBL964746 0.67 KDM4E (0.49) KDM4ELMNAGAAMAPTHSD17B10
SCHEMBL30506365 0.67 TYK2 (0.40) ARJAK2
SCHEMBL7319585 0.67 KDM4E (0.48) KDM4ELMNAGAAMAPTHSD17B10
SCHEMBL1842982 0.66 KDM4E (0.51) KDM4ELMNAGAAMAPTHSD17B10

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 4547/4885LMNA 2967/4885GAA 521/4885

“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.