SCHEMBL19737587

SCHEMBL19737587

CC(C)c1cnc2ccc(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
HCAR1 Q9BXC0 3/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 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
SCHEMBL31526691 0.87 MAPKAPK2 (0.46) MAPTTHRBSCN10AMAPKAPK2RPS6KA3
SCHEMBL2611060 0.87 MAPKAPK2 (0.46) MAPTTHRBSCN10AMAPKAPK2RPS6KA3
SCHEMBL4135331 0.77 CA12 (0.46) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL4137137 0.75 F11 (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL31093789 0.75 F11 (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL25092963 0.74 PARP1 (0.38) MAPTALDH1A1
SCHEMBL26450711 0.74 PARP1 (0.36) SCN10AAURKADAPK3JAK2MAP4K4
SCHEMBL1378724 0.74 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL13154918 0.74 SCN10A (0.36) SCN10AAURKADAPK3JAK2MAP4K4
SCHEMBL9980482 0.74 MAPKAPK2 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1

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-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885THRB 4389/4885SCN10A 452/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAPT 4550/4885THRB 4389/4885SCN10A 452/4885

“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.