SCHEMBL21135011

SCHEMBL21135011

c1ccc(-n2cnc3ccccc32)c(-c2nnc(-c3ccccc3-n3cnc4ccccc43)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
POLB P06746 1/20 0.45
FGFR1 P11362 3/20 0.44
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ROCK1 Q13464 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL23266636 0.85 HTT (0.60) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL3417306 0.79 HTT (0.73) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL27995809 0.79 HTT (0.58) HTTPOLBFGFR1MAPK1ALDH1A1
SCHEMBL23266681 0.79 HTT (0.53) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL21135010 0.78 HTT (0.49) HTTPOLBFGFR1MAPK1ALDH1A1
SCHEMBL13504641 0.75 POLB (0.57) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL23266691 0.75 HTT (0.53) HTTPOLBFGFR1ALDH1A1KDM4E
SCHEMBL25635315 0.75 HTT (0.49) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL30389764 0.75 HTT (0.49) HTTPOLBFGFR1ALDH1A1ROCK1
SCHEMBL5937 0.75 HTT (0.56) HTTPOLBFGFR1ALDH1A1ROCK1

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-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-27 US disclosed
US-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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-20190198773-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND INCLUDING NITROGEN FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, CHRM1, FOXM1 HTT 4014/4885POLB 2783/4885FGFR1 1828/4885
US-10818850-B2 Organic electroluminescence device and compound including nitrogen for organic electroluminescence device L1CAM, CHRM1, FOXM1 HTT 4014/4885POLB 2783/4885FGFR1 1828/4885

“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.