SCHEMBL6840490

SCHEMBL6840490

Cc1csc(-c2ccccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 1.00
KDM4E B2RXH2 10/20 0.55
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 3/20 0.55
HSD17B10 Q99714 3/20 0.55
PKM P14618 1/20 0.55
GFER P55789 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
CYP19A1 P11511 1/20 0.54
MAPK1 P28482 3/20 0.51
NPC1 O15118 4/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 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
SCHEMBL30606303 1.00 PDE10A (1.00) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL31597233 0.82 PDE10A (0.70) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL1741719 0.81 CYP19A1 (0.79) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL13377800 0.80 PDE10A (0.67) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL4436213 0.78 SREBF2 (0.67) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL252304 0.78 PDE10A (0.64) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL15825002 0.78 PDE10A (0.64) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL13020808 0.78 PDE10A (0.64) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL31341159 0.78 PDE10A (0.64) PDE10AKDM4EALDH1A1RAB9AMAPT
SCHEMBL21366089 0.77 PDE10A (0.63) PDE10AKDM4EALDH1A1RAB9AMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
EP-0974598-B1 New erythromycin derivatives, process for making them and their use as medicines AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed
EP-0376848-A1 Thiazolyl or oxazolyl substituted 1,2,5,6-tetrahydropyridine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-04 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 (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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PDE10A 2198/4885KDM4E 3048/4885ALDH1A1 2920/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP PDE10A 2198/4885KDM4E 3048/4885ALDH1A1 2920/4885
US-20080139489-A1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS PCSK9, KHK, PCSK7 PDE10A 1528/4885KDM4E 200/4885ALDH1A1 1171/4885
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP1B1 PDE10A 3905/4885KDM4E 1715/4885ALDH1A1 158/4885

“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.