SCHEMBL3720436

SCHEMBL3720436

C#Cc1cc(C)nc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HDAC8 Q9BY41 4/20 0.36
POLB P06746 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PDE2A O00408 1/20 0.34
GRM5 P41594 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
NOS1 P29475 1/20 0.33
LMNA P02545 1/20 0.32
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15895055 0.79 MEN1 (0.32) CYP1A1CYP1B1
SCHEMBL3098035 0.77 ALOX15 (0.41) LMNAGBA1KDM4E
SCHEMBL18525487 0.74 CTSK (0.34)
SCHEMBL31254277 0.73 KDM4E (0.42) LMNAGBA1KDM4E
SCHEMBL1179216 0.72 KDM4E (0.45) GRM5KDM4E
SCHEMBL7956972 0.72 POLB (0.36) POLBAPOBEC3GNOS3NOS2NOS1
SCHEMBL211753 0.71 CYP1A1 (0.46) CYP1A1CYP1B1HDAC8
SCHEMBL6554977 0.71 ALDH1A1 (0.40) CYP1A1CYP1B1HDAC8
SCHEMBL4737755 0.70
SCHEMBL29852011 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4253387-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
WO-2022111636-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-02 WO disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 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 (2 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 CYP1A1 1494/4885CYP1B1 451/4885HDAC8 3880/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 CYP1A1 3045/4885CYP1B1 2898/4885HDAC8 2151/4885

“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.