SCHEMBL2895877

SCHEMBL2895877

CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(-c3ccc4c(c3)CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]4C)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
GSK3B P49841 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PIM1 P11309 1/20 0.33
IRAK1 P51617 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
PIM3 Q86V86 1/20 0.33
HPGD P15428 1/20 0.32
GNRHR P30968 1/20 0.31
MAPT P10636 1/20 0.31
PDE4D Q08499 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL7498463 0.92 KDM4E (0.38) TDP1GSK3BKCNH2KDM4ENPSR1
SCHEMBL2898547 0.87 ADRB2 (0.38) ADRB2TDP1GSK3BKCNH2PIM1
SCHEMBL4994704 0.87 ADRB2 (0.38) ADRB2TDP1GSK3BKCNH2PIM1
SCHEMBL2898546 0.87 ADRB2 (0.38) ADRB2TDP1GSK3BKCNH2PIM1
SCHEMBL12281151 0.81 ADRB2 (0.37) ADRB2TDP1GSK3BKCNH2KDM4E
SCHEMBL12280038 0.81 ADRB2 (0.38) ADRB2TDP1GSK3BKCNH2KDM4E
SCHEMBL12280687 0.81 ADRB2 (0.38) ADRB2TDP1GSK3BKCNH2KDM4E
SCHEMBL7574255 0.81 KDM4E (0.33) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL2898552 0.80 KCNH2 (0.40) TDP1GSK3BKCNH2KDM4EALDH1A1
SCHEMBL2898551 0.80 KCNH2 (0.40) TDP1GSK3BKCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031569-B1 SALT OF A 7-ISOINDOLINEQUINOLONECARBOXYLIC ACID DERIVATIVE, MONOHYDRATE THEREOF AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO LTD (JP) 2010-03-17 EP disclosed
US-7371868-B2 Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient TOYAMA CHEMICAL CO., LTD. (JP) 2008-05-13 US disclosed
US-20070225506-A1 PROCESSES FOR PRODUCING 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE, AS WELL AS SALT OF 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE, ITS HYDRATE AND COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO., LTD. (JP) 2007-09-27 US disclosed
US-20050203301-A1 Processes for producing 7-isoindoline-quinolone carboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient TOYAMA CHEMICAL CO., LTD. (JP) 2005-09-15 US disclosed
US-6482835-B2 SUCH AS (R)-1-CYCLOPROPYL-8-DIFLUOROMETHOXY-7-(1-METHYL-2,3-DIHYDRO-1H-5-ISOINDOLYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYL IC ACID METHANESULFONATE; CHEMICAL INTERMEDIATES; BACTERICIDES; CATALYSIS TOYAMA CHEMICAL CO., LTD. (JP) 2002-11-19 US disclosed
US-20020049328-A1 Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient TOYAMA CHEMICAL CO., LTD. (JP) 2002-04-25 US disclosed
US-6337399-B1 CONDENSATION OF ISOINDOLE WITH BORATE GROUP WITH QUINOLONE CARBOXYLIC ACID TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-08 US disclosed
EP-1031569-A1 PROCESSES FOR PRODUCING 7-ISOINDOLINEQUINOLONECARBOXYLIC DERIVATIVES AND INTERMEDIATES THEREFOR, SALTS OF 7-ISOINDOLINEQUINOLONECARBOXYLIC ACIDS, HYDRATES THEREOF, AND COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT TOYAMA CHEMICAL CO., LTD. (JP) 2000-08-30 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 (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-20020049328-A1 Processes for producing 7-isoindoline-quinolonecarboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient BRD7, IMPDH1, DDT ADRB2 1117/4885TDP1 1644/4885GSK3B 3104/4885
US-20050203301-A1 Processes for producing 7-isoindoline-quinolone carboxylic acid derivative and its intermediate, as well as salt of 7-isoindoline-quinolonecarboxylic acid derivative, its hydrate and composition comprising the same as active ingredient KCNQ2, CYP4X1, HAAO ADRB2 490/4885TDP1 4151/4885GSK3B 3262/4885
US-20070225506-A1 PROCESSES FOR PRODUCING 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE AND ITS INTERMEDIATE, AS WELL AS SALT OF 7-ISOINDOLINE-QUINOLONECARBOXYLIC ACID DERIVATIVE, ITS HYDRATE AND COMPOSITION COMPRISING THE SAME AS ACTIVE INGREDIENT DHX15, HAAO, DHX35 ADRB2 571/4885TDP1 4076/4885GSK3B 3277/4885

“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.