SCHEMBL5527262

SCHEMBL5527262

Cc1csc2c(O)nc(-c3ccccn3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP19A1 P11511 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
SLC2A1 P11166 1/20 0.39
NFKB1 P19838 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL18998134 0.87 KDM4E (0.49) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL31688060 0.87 KDM4E (0.49) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL18997515 0.85 NPC1 (0.47) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL20665754 0.84 KDM4E (0.49) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL24128152 0.83 PDE10A (0.41) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL20665711 0.82 KDM4E (0.44) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL8145981 0.82 L3MBTL1 (0.45) PDE10AKDM4ETDP1L3MBTL1NPC1
SCHEMBL20665240 0.82 MEN1 (0.46) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL24827580 0.82 PDE10A (0.45) PDE10AKDM4ETDP1CYP19A1L3MBTL1
SCHEMBL20665195 0.81 PRKCI (0.42) PDE10AKDM4ETDP1CYP19A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
EP-1805187-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-07-11 EP disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 PDE10A 1360/4885KDM4E 3392/4885TDP1 3252/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS PDE10A 2766/4885KDM4E 4215/4885TDP1 3901/4885
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV PDE10A 3658/4885KDM4E 2302/4885TDP1 3612/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 PDE10A 1360/4885KDM4E 3392/4885TDP1 3252/4885

“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.