SCHEMBL900260

SCHEMBL900260

FC(F)(F)c1ccc2c(N3CCNCC3)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 1.00
ADRB2 P07550 4/20 1.00
ADRB1 P08588 1/20 0.58
PDGFRB P09619 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DPP4 P27487 1/20 0.48
HTR6 P50406 2/20 0.47
CHKA P35790 1/20 0.47
HTR1D P28221 3/20 0.47
HTR2C P28335 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47

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
SCHEMBL2587501 0.95 NCF1 (0.90) NCF1ADRB2ADRB1PDGFRBKDM4E
SCHEMBL2918624 0.89 NCF1 (0.81) NCF1ADRB2ADRB1MAPTHTR6
SCHEMBL6125225 0.84 ADRB2 (0.72) NCF1ADRB2PDGFRBKDM4EMAPT
SCHEMBL30059007 0.82 NCF1 (0.70) NCF1ADRB2NPSR1PKMALOX15
SCHEMBL5638528 0.82 NCF1 (0.70) NCF1ADRB2NPSR1PKMALOX15
SCHEMBL13153253 0.82 ADRB2 (0.69) NCF1ADRB2PDGFRBKDM4EMAPT
SCHEMBL18386565 0.81 ADRB2 (0.67) NCF1ADRB2PDGFRBKDM4EMAPT
SCHEMBL900102 0.79 NCF1 (0.65) NCF1ADRB2ADRB1HTR6HTR1D
SCHEMBL1043251 0.79 NCF1 (0.70) NCF1ADRB2MAPTPKMALOX15
SCHEMBL30061172 0.79 NCF1 (0.70) NCF1ADRB2ADRB1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085557-B2 Quinolylpiperazino substituted thiolactone compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-21 US claimed
EP-2566863-B1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-14 EP claimed
US-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-07-25 US claimed
EP-2566863-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2013-03-13 EP claimed
WO-2011138666-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-11-10 WO claimed
EP-2964625-B1 QUINOLINE SULFONYL DERIVATIVES AND USES THEREOF HEALTH SCIENCES NORTH RES INSTITUTE (CA) 2018-07-25 EP disclosed
US-9975852-B2 Quinoline sulfonyl derivatives and uses thereof HEALTH SCIENCES NORTH RESEARCH INSTITUTE (CA) 2018-05-22 US disclosed
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
EP-2964625-A1 QUINOLINE SULFONYL DERIVATIVES AND USES THEREOF Advanced Medical Research Institute Of Canada (CA) 2016-01-13 EP disclosed
US-20150376132-A1 Quinoline Sulfonyl Derivatives And Uses Thereof LEE, Hoyun (CA) 2015-12-31 US disclosed
US-20150376132-A1 Quinoline Sulfonyl Derivatives And Uses Thereof LEE, Hoyun (CA) 2015-12-31 US disclosed
US-9085557-B2 Quinolylpiperazino substituted thiolactone compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-21 US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
US-6472391-B2 INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. MILLENNIUM PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
CN-1208404-A Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO KK (JP) 1999-02-17 CN disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA NCF1 280/4885ADRB2 1397/4885ADRB1 703/4885
US-20150376132-A1 Quinoline Sulfonyl Derivatives And Uses Thereof GLS, GLS2, SDHA NCF1 3477/4885ADRB2 3409/4885ADRB1 3396/4885
US-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF SQOR, TST, FDPS NCF1 3136/4885ADRB2 2221/4885ADRB1 1492/4885

“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.