SCHEMBL23870533

SCHEMBL23870533

CC(C)c1ccc(-c2nc3ncccc3[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.65
HPSE Q9Y251 2/20 0.57
PRMT5 O14744 3/20 0.54
METAP1 P53582 2/20 0.53
METAP2 P50579 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
PDE5A O76074 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL11770396 0.83 AURKA (0.70) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL6265481 0.83 AURKA (0.68) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL28693174 0.83 AURKA (0.68) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL14090269 0.82 PDE5A (0.57) AURKAHPSEMETAP1METAP2HDAC6
Hydrochloric Acid SCHEMBL11772488 0.81 AURKA (0.66) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL1284270 0.80 AURKA (0.73) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL7434682 0.80 AURKA (0.68) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL28223244 0.80 AURKA (0.68) AURKAHPSEPRMT5METAP1METAP2
Hydrochloric Acid SCHEMBL11776694 0.79 AURKA (0.71) AURKAHPSEPRMT5METAP1METAP2
SCHEMBL11155883 0.79 AURKA (0.67) AURKAHPSEPRMT5METAP1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-30 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-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD AURKA 4290/4885HPSE 3663/4885PRMT5 3101/4885

“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.