SCHEMBL12134656

SCHEMBL12134656

CC(C)(C)NCc1cncs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
SLC6A3 Q01959 9/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CD38 P28907 1/20 0.35
CA2 P00918 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13212565 0.76 PDE10A (0.35) PDE10ASLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL178406 0.76
SCHEMBL289897 0.75 HDAC8 (0.40) PDE10ASLC6A3NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29919997 0.74 CYP2A6 (0.41) PDE10ASLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL1911589 0.74 SLC6A3 (0.38) SLC6A3NPC1RAB9ASMN1; SMN2PARP15
SCHEMBL10204766 0.73 L3MBTL1 (0.46) RAB9ACA2TDP1LMNA
SCHEMBL2256863 0.72
SCHEMBL17085964 0.71
SCHEMBL105278 0.71 SLC6A3 (0.39) PDE10ASLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL13412533 0.71 SLC6A3 (0.36) SLC6A3NPC1RAB9ASMN1; SMN2PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20220119386-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR JACOBIO PHARMACEUTICALS CO LTD (CN) 2022-04-21 US disclosed
US-20210163478-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD (CN) 2021-06-03 US disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 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 (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-20220119386-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR FGFR4, FGFR1, FGFR3 PDE10A 4100/4885SLC6A3 1845/4885NPC1 790/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 PDE10A 2187/4885SLC6A3 156/4885NPC1 458/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R PDE10A 2346/4885SLC6A3 2308/4885NPC1 2773/4885
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 PDE10A 4199/4885SLC6A3 3869/4885NPC1 516/4885
US-20210163478-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR FGFR4, FGFR1, FGFR3 PDE10A 4100/4885SLC6A3 1845/4885NPC1 790/4885

“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.