SCHEMBL20022423

SCHEMBL20022423

Cc1cc(F)ccc1-n1cc(C)c(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.41
NR3C2 P08235 1/20 0.39
GRIN2B Q13224 8/20 0.38
RXRA P19793 5/20 0.38
GRIN1 Q05586 5/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37
AXL P30530 1/20 0.37
CDK8 P49336 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
MAP2K5 Q13163 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL164749 0.82 AURKA (0.51) NR3C2GRIN2BRXRAGRIN1KDM4E
Hydrochloric Acid SCHEMBL30297750 0.81 AURKA (0.51) NR3C2GRIN2BRXRAGRIN1KDM4E
SCHEMBL168701 0.77 SCN9A (0.40) HDAC9NR3C2GRIN2BRXRAGRIN1
SCHEMBL30108354 0.76 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1
SCHEMBL3946970 0.76 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1
SCHEMBL23749349 0.76 AURKA (0.46) HDAC9GRIN2BRXRAGRIN1KDM4E
SCHEMBL30030359 0.76 AURKA (0.46) HDAC9GRIN2BRXRAGRIN1KDM4E
Hydrochloric Acid SCHEMBL28402210 0.75 AURKA (0.45) HDAC9GRIN2BRXRAGRIN1KDM4E
SCHEMBL30031094 0.75 AURKA (0.45) HDAC9GRIN2BRXRAGRIN1ALDH1A1
SCHEMBL23749363 0.75 AURKA (0.45) HDAC9GRIN2BRXRAGRIN1ALDH1A1

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-20180093968-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2018-04-05 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-20180093968-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS TYRO3, MERTK, AXL HDAC9 3016/4885NR3C2 2586/4885GRIN2B 2737/4885

“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.