SCHEMBL501306

SCHEMBL501306

CCOC(=O)c1cn(C(C)(C)C)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
STAT3 P40763 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
CYP2C19 P33261 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10390918 0.87 BAZ2B (0.42) KMT2ASTAT3POLBALDH1A1KDM4E
SCHEMBL2093801 0.85 KMT2A (0.44) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL9775895 0.85 KMT2A (0.40) KMT2ASTAT3POLBALDH1A1KDM4E
SCHEMBL3977245 0.84 ALDH1A1 (0.53) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL9685866 0.84 KMT2A (0.44) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL5874071 0.84 KEAP1 (0.46) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL8941932 0.84 KMT2A (0.45) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL9775866 0.83 STAT3 (0.43) KMT2ASTAT3ALDH1A1KDM4EHPGD
SCHEMBL22774060 0.83 KMT2A (0.46) KMT2ASTAT3POLBALDH1A1KDM4E
SCHEMBL11192689 0.83 KMT2A (0.53) KMT2ASTAT3POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field ASAHINA YOSHIKAZU 2009-07-09 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 EP disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO 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 (3 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-20090176824-A1 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field CLPP, PRSS1, FOSB KMT2A 4292/4885STAT3 3715/4885POLB 186/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA KMT2A 4168/4885STAT3 4345/4885POLB 340/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 KMT2A 4682/4885STAT3 3240/4885POLB 234/4885

“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.