SCHEMBL423133

SCHEMBL423133

Cc1ccc2c(c1)C(F)(F)OC(F)(F)O2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 4/20 0.32
ATM Q13315 2/20 0.32
RAD52 P43351 1/20 0.32
MMP12 P39900 1/20 0.31
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDK2 Q15119 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL10104551 0.85 KIF11 (0.38) KIF11PDK2
SCHEMBL2666535 0.84 KIF11 (0.34) KIF11KDM4EATMRAD52MMP12
SCHEMBL12423983 0.79 KIF11 (0.46) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL3612411 0.78 KIF11 (0.50) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL1722673 0.78 KIF11 (0.47) KIF11HTTMEN1LMNAMAPT
SCHEMBL18768657 0.77 KIF11 (0.44) KIF11
SCHEMBL9071123 0.77 KIF11 (0.44) KIF11ATMPDK2
SCHEMBL19563466 0.77 KIF11 (0.53) KIF11PDK2
SCHEMBL2662893 0.77 KIF11 (0.44) KIF11MEN1LMNAMAPTRECQL
SCHEMBL12868103 0.77 KIF11 (0.44) KIF11HTTLMNAPDK2

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006104826-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-10-05 WO disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US disclosed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO disclosed
WO-2003051357-A1 GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (6 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP KIF11 4084/4885KDM4E 4338/4885ATM 2065/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C KIF11 3926/4885KDM4E 3044/4885ATM 2175/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885KDM4E 1618/4885ATM 2750/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 KIF11 1525/4885KDM4E 1194/4885ATM 4643/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KIF11 4469/4885KDM4E 1618/4885ATM 2750/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KIF11 1525/4885KDM4E 1194/4885ATM 4643/4885

“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.