SCHEMBL22292142

SCHEMBL22292142

CC(C)(C)c1ccc2nnncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 9/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NR1I2 O75469 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PLK4 O00444 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
SCHEMBL25782693 0.87 SCN10A (0.37) SCN10AKCNH2NR1I2LRRK2ALDH1A1
SCHEMBL2229798 0.78 ALDH1A1 (0.41) SCN10AKCNH2NR1I2ALDH1A1HPGD
SCHEMBL12056337 0.76 SCN10A (0.40) SCN10AKCNH2NR1I2LRRK2ALDH1A1
SCHEMBL18609173 0.75 CYP1A2 (0.50) ALDH1A1HPGDHSD17B10TDP1MEN1
SCHEMBL21672220 0.74 ALDH1A1 (0.41) SCN10AKCNH2LRRK2ALDH1A1HPGD
SCHEMBL12227509 0.73 NR1I2 (0.36) SCN10AKCNH2NR1I2LRRK2ALDH1A1
SCHEMBL348347 0.72 ALDH1A1 (0.52) SCN10AKCNH2NR1I2ALDH1A1HPGD
SCHEMBL30010382 0.72 ALDH1A1 (0.52) SCN10AKCNH2NR1I2ALDH1A1HPGD
SCHEMBL12227508 0.72 SCN10A (0.40) SCN10AKCNH2NR1I2LRRK2ALDH1A1
SCHEMBL4548632 0.71 SCN10A (0.42) SCN10AKCNH2LRRK2ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11700768-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-07-11 — — US disclosed
US-11700768-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-07-11 — — US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 — — 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B SCN10A 4508/4885KCNH2 4122/4885NR1I2 2645/4885
US-11700768-B2 Compound and organic light emitting device comprising the same ARL1, ARRB1, CRY1 SCN10A 3441/4885KCNH2 1598/4885NR1I2 7/4885

“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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