SCHEMBL4471725

SCHEMBL4471725

COc1c(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)C(C)(C)C3)cc2n1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
PIM3 Q86V86 2/20 0.48
PRKD3 O94806 1/20 0.48
IRAK1 P51617 1/20 0.48
RPS6KA3 P51812 1/20 0.48
DYRK1A Q13627 1/20 0.48
CSNK1G3 Q9Y6M4 1/20 0.48
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
TOP2A P11388 1/20 0.39
CYP2C9 P11712 1/20 0.39
TOP2B Q02880 1/20 0.39
PIK3CG P48736 3/20 0.39

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
SCHEMBL5569300 0.79 KDM4E (0.50) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9457406 0.78 PRKD3 (0.47) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL5725020 0.75 KCNH2 (0.44) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10435788 0.75 PIM1 (0.60) PIM1GSK3AGSK3BPIM3PRKD3
Hydrochloric Acid SCHEMBL4466832 0.74 PIM1 (0.36) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL6526011 0.71 PRKD3 (0.43) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL7520825 0.70 PRKD3 (0.38) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9601114 0.70 KDM4E (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL4461582 0.70 KCNH2 (0.44) PRKD3ALDH1A1KDM4ELMNAHPGD
SCHEMBL30686874 0.69 ALDH1A1 (0.59) PIM1GSK3AGSK3BPIM3PRKD3

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-7538221-B2 Polymorphs of racemic, dextrorotatory, and levorotatory enantioners of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid hydrochloride and mesylate salts THE COMPANY OF WOCKHARDT LIMITED (IN) 2009-05-26 US disclosed
US-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts WOCKHARDT LIMITED (IN) 2007-04-12 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-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts CYP2D6, UGT1A1, ADRA1A PIM1 4347/4885GSK3A 4455/4885GSK3B 4657/4885

“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.