SCHEMBL823082

SCHEMBL823082

Cc1cn(C)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
CCNT1 O60563 1/20 0.47
PIM1 P11309 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
MET P08581 1/20 0.44
SLC6A2 P23975 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GSK3B P49841 3/20 0.42
FEN1 P39748 1/20 0.41

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
SCHEMBL3213880 0.80 SLC6A2 (0.43) DYRK1ASLC6A2HTTKDM4EL3MBTL1
SCHEMBL21140258 0.79 SLC6A2 (0.40) DYRK1ASLC6A2HTTKDM4EL3MBTL1
SCHEMBL11922110 0.79 DYRK1A (0.47) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL14197833 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL20674508 0.78 HTT (0.46) SLC6A2HTTKDM4EL3MBTL1NPC1
SCHEMBL20674192 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL22149167 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL15792325 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL30503547 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL16307577 0.78 DYRK1A (0.49) DYRK1ACCNT1PIM1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
WO-2022221642-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-20 WO disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
WO-2022063197-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF 上海美悦生物科技发展有限公司 2022-03-31 WO disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
WO-2020119739-A1 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREFOR 暨南大学 2020-06-18 WO disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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 (5 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-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 DYRK1A 2246/4885CCNT1 623/4885PIM1 3166/4885
US-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 DYRK1A 3264/4885CCNT1 3392/4885PIM1 1191/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 DYRK1A 3150/4885CCNT1 407/4885PIM1 4178/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 DYRK1A 797/4885CCNT1 507/4885PIM1 4391/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DYRK1A 3616/4885CCNT1 3977/4885PIM1 4705/4885

“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.