SCHEMBL3661273

SCHEMBL3661273

Clc1ccc2cnc(Cl)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 2/20 0.48
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
DYRK1A Q13627 2/20 0.39
NOS1 P29475 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
PIK3CG P48736 1/20 0.38
CYP2A6 P11509 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2595849 0.83 HTR3A (0.50) KDM4EALDH1A1SMN1; SMN2NR4A2PDGFRB
SCHEMBL30354091 0.83 HTR3A (0.50) KDM4EALDH1A1SMN1; SMN2NR4A2PDGFRB
SCHEMBL29516187 0.79 BACE1 (0.47) KDM4EALDH1A1SMN1; SMN2DYRK1ANOS1
SCHEMBL7707767 0.79 PIK3CG (0.53) NR4A2PDGFRBPDGFRADYRK1APIK3CG
SCHEMBL10222180 0.79 NR4A2 (0.46) KDM4EALDH1A1SMN1; SMN2NR4A2PDGFRB
SCHEMBL30908162 0.79 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2CYP2A6LMNA
SCHEMBL1633846 0.79 BACE1 (0.47) KDM4EALDH1A1SMN1; SMN2DYRK1ANOS1
SCHEMBL15221585 0.79 NR4A2 (0.46) KDM4EALDH1A1NR4A2PDGFRBPDGFRA
SCHEMBL18791330 0.79 NR4A2 (0.46) SMN1; SMN2NR4A2PDGFRBPDGFRADYRK1A
SCHEMBL26341928 0.79 HTT (0.54) KDM4EALDH1A1SMN1; SMN2DYRK1AHTR3A

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
WO-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 WO disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9493459-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-11-15 US disclosed
US-9493459-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-11-15 US disclosed
US-9493459-B2 Azetidine and piperidine compounds useful as PDE10 inhibitors AMGEN INC. (US) 2016-11-15 US disclosed
US-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2016-06-23 US disclosed
US-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2016-06-23 US disclosed
US-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2016-06-23 US disclosed
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS AMGEN INC. (US) 2013-08-29 US disclosed
CN-102952087-A Quinazoline ring contained ether compound and its use SINOCHEM CORP 2013-03-06 CN disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US 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 (4 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-20160176874-A1 AZETIDINE AND PIPERIDINE COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE9A, PDE2A KDM4E 750/4885ALDH1A1 336/4885SMN1; SMN2 2366/4885
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS PDE10A, PDE1B, PDE9A KDM4E 3889/4885ALDH1A1 1910/4885SMN1; SMN2 2057/4885
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A KDM4E 3183/4885ALDH1A1 1037/4885SMN1; SMN2 2577/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM4E 3148/4885ALDH1A1 526/4885SMN1; SMN2 1563/4885

“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.