SCHEMBL20997819

SCHEMBL20997819

c1ccc(S2(c3ccccc3)c3ccccc3N(c3c(-c4ccncc4)cccc3-c3ccncc3)c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MARK3 P27448 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
SCHEMBL20998172 0.80 NR1H3 (0.34) MAPTTSHRMGLL
SCHEMBL19036019 0.78 RXFP1 (0.31) —
SCHEMBL20997837 0.74 NOTUM (0.37) NOTUMHTR6ALDH1A1HTTMAPT
SCHEMBL24943249 0.71 HSD11B1 (0.38) ALDH1A1HTTMAPT
SCHEMBL20997810 0.71 NOTUM (0.35) NOTUMHTR6ALDH1A1HTTMAPT
SCHEMBL22947650 0.69 SMN1; SMN2 (0.42) NOTUMALDH1A1HTTMAPTTSHR
SCHEMBL20029201 0.68 FAAH (0.35) ALDH1A1HTTMGLL
SCHEMBL26373691 0.68 KDM5A (0.32) ALDH1A1MAPTSMN1; SMN2MGLL
SCHEMBL24942993 0.67 ALDH1A1 (0.42) ALDH1A1MAPTTSHRSMN1; SMN2HSD17B10
SCHEMBL20998174 0.67 ATM (0.48) ALDH1A1HTTMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-24 — — US disclosed
US-20190148652-A1 NITROGEN-CONTAINING COMPOUND-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-16 — — 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-20190148652-A1 NITROGEN-CONTAINING COMPOUND-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME L1CAM, C1S, CHRM1 NOTUM 4613/4885HTR6 2840/4885ALDH1A1 1501/4885
US-11563187-B2 Nitrogen-containing compound-containing compound and organic electroluminescence device including the same L1CAM, C1S, CHRM1 NOTUM 4613/4885HTR6 2840/4885ALDH1A1 1501/4885

“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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