SCHEMBL1243656

SCHEMBL1243656

FC(F)(F)c1cn2nc(Cl)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PDE10A Q9Y233 3/20 0.42
KDM4E B2RXH2 3/20 0.42
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
DRD4 P21917 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR1A P08908 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
AHR P35869 3/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
SCN5A Q14524 1/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL7002384 0.82 KDM4E (0.42) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL756100 0.81 KDM4E (0.50) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL3086598 0.80 AHR (0.39) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL1430677 0.79 KDM4E (0.40) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL12962511 0.79 PDE10A (0.45) ALDH1A1PDE10AKDM4ESMN1; SMN2AHR
SCHEMBL16972563 0.79 PDE10A (0.42) PDE10AAHRSCN5ADPP4DPP8
SCHEMBL7008525 0.77 DRD2 (0.39) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL7001788 0.76 DRD2 (0.38) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL6619103 0.76 DRD2 (0.38) ALDH1A1PDE10AKDM4EDRD2DRD3
SCHEMBL12891186 0.75 PDE10A (0.43) PDE10AAHRSCN5ADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
CN-115594683-A Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司(CN) 2023-01-13 CN disclosed
US-10968232-B2 Antidiabetic spirochroman compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
EP-3558298-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
US-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3099690-B1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2019-08-28 EP disclosed
WO-2018118670-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-20160333018-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2016-11-17 US disclosed
US-8399381-B2 Condensed heterocyclic sulfonyl urea compound, a herbicide containing the same, and a method for weed control using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
EP-1466527-B1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
WO-2006039325-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
EP-1466527-A1 FUSED HETEROCYCLIC SULFONYLUREA COMPOUND, HERBICIDE CONTAINING THE SAME, AND METHOD OF CONTROLLING WEED WITH THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-10-13 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 (7 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 ALDH1A1 1070/4885PDE10A 1726/4885KDM4E 571/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R ALDH1A1 3958/4885PDE10A 3071/4885KDM4E 1381/4885
US-10968232-B2 Antidiabetic spirochroman compounds GPR119, GPR52, GPR55 ALDH1A1 1981/4885PDE10A 888/4885KDM4E 4321/4885
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS GPR119, GPR52, GPR55 ALDH1A1 1981/4885PDE10A 888/4885KDM4E 4321/4885
US-20050032650-A1 Fused heterocyclic sulfonylurea compound herbicide containing the same and method of controlling weed with the same NOTUM, WEE1, DDT ALDH1A1 671/4885PDE10A 632/4885KDM4E 683/4885
US-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders GRIN2B, MAOB, GRIN2A ALDH1A1 259/4885PDE10A 3239/4885KDM4E 2694/4885
US-20160333018-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS GRIN2B, MAOB, GRIN2A ALDH1A1 259/4885PDE10A 3239/4885KDM4E 2694/4885

“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.