SCHEMBL20732583

SCHEMBL20732583

Cc1ccccc1N1c2ncccc2N(I)[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FLT3 P36888 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL20732634 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL23998675 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL16726495 0.83 KDM4E (0.38) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL24444108 0.83 KDM4E (0.38) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL11995100 0.83 KDM4E (0.38) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL22781118 0.82 KDM4E (0.37) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL22431371 0.82 KDM4E (0.37) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL24469161 0.81 KDM4E (0.36) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL23219313 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDTDP1MAPK1
SCHEMBL21074284 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDTDP1MAPK1

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-11744142-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-29 — — US disclosed
US-20190051845-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-02-14 — — 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 (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-11744142-B2 Organic electroluminescent materials and devices TLL1, TLL2, ALPL ALDH1A1 2454/4885KDM4E 4065/4885HPGD 4374/4885
US-20190051845-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TLL1, TLL2, ALPL ALDH1A1 2454/4885KDM4E 4065/4885HPGD 4374/4885

“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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