SCHEMBL143605

SCHEMBL143605

CCOC(=O)c1cn(C2CC2)c2c(C)c(F)c(F)cc2c1=O

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.64
STAT3 P40763 1/20 0.53
KCNH2 Q12809 4/20 0.52
TOP2A P11388 5/20 0.50
TOP2B Q02880 5/20 0.50
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 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
SCHEMBL29492858 0.93 ADRB2 (0.68) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL2844967 0.93 ADRB2 (0.68) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL7575069 0.91 ADRB2 (0.61) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL10627001 0.91 ADRB2 (0.66) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL9264180 0.90 ADRB2 (0.54) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL115991 0.90 ADRB2 (0.62) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL5704396 0.89 ADRB2 (0.64) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL7011806 0.89 ADRB2 (0.59) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL9188190 0.89 ADRB2 (0.61) ADRB2STAT3KCNH2TOP2ATOP2B
SCHEMBL15828543 0.89 ADRB2 (0.59) ADRB2STAT3KCNH2TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-0990639-B1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL IND CO (JP) 2004-02-25 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
US-6162944-A Process for production of N-cyclopropylanilines and intermediates therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-19 US disclosed
EP-0990639-A1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-04-05 EP 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-0237955-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-07-15 EP disclosed
US-4935420-A MICROBIOCIDES, ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-19 US disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
US-4874764-A ANTIMICROBIALS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-10-17 US disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 ADRB2 3198/4885STAT3 3008/4885KCNH2 2211/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885STAT3 4808/4885KCNH2 1477/4885

“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.