SCHEMBL12376775

SCHEMBL12376775

Cn1c(NCc2ccccc2)ncc(C(C)(C)C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.58
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 1/20 0.46
BRD4 O60885 2/20 0.46
BRD9 Q9H8M2 2/20 0.46
PKM P14618 1/20 0.45
HIF1A Q16665 1/20 0.45
KAT2B Q92831 1/20 0.45
HPGD P15428 4/20 0.44

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
SCHEMBL12411882 0.84 GAA (0.59) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2282701 0.82 GAA (0.59) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL12376777 0.78 CYP1A2 (0.43) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL24367734 0.69 GAA (0.72) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2284650 0.68 GAA (0.50) GAAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL19002480 0.66 GAA (0.79) GAAALDH1A1KDM4EHSD17B10TSHR
Hydrochloric Acid SCHEMBL9386491 0.66 TSHR (0.51) GAAALDH1A1TSHRTP53KMT2A
SCHEMBL9382161 0.66 TSHR (0.51) GAAALDH1A1TSHRMAPK1KMT2A
SCHEMBL12536532 0.66 KDM4E (0.42) ALDH1A1KDM4EHSD17B10KMT2ALMNA
SCHEMBL7216645 0.66 GAA (0.82) GAAALDH1A1KDM4EHSD17B10TSHR

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC GAA 1103/4885ALDH1A1 1635/4885KDM4E 3968/4885

“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.