SCHEMBL17573000

SCHEMBL17573000

NCC(O)Cc1cc2ccccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDPK1 O15530 1/20 0.43
PLAU P00749 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
MDM2 Q00987 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 7/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 3/20 0.36
PDE10A Q9Y233 2/20 0.35
CARM1 Q86X55 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL3959593 0.81 ATM (0.44) ATML3MBTL1PDPK1PLAUMDM2
SCHEMBL3639574 0.76 PDPK1 (0.54) ATML3MBTL1PDPK1PLAUCYP1A2
SCHEMBL3639839 0.76 HTR2A (0.51) ATML3MBTL1PDPK1PLAUMDM2
SCHEMBL3122540 0.75 ATM (0.51) ATML3MBTL1PDPK1PLAUMDM2
Hydrochloric Acid SCHEMBL6440808 0.74 PDPK1 (0.52) ATML3MBTL1PDPK1PLAUCYP1A2
SCHEMBL18642514 0.74 ALPI (0.50) ATML3MBTL1MDM2CYP1A2
SCHEMBL29433287 0.74 ALPI (0.50) ATML3MBTL1MDM2CYP1A2
SCHEMBL3412553 0.74 ALPI (0.50) ATML3MBTL1MDM2CYP1A2
SCHEMBL25111613 0.74 ATM (0.39) ATML3MBTL1PDPK1PLAUMDM2
SCHEMBL17559366 0.74 KMT2A (0.48) ATML3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 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 (1 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-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 ATM 1351/4885L3MBTL1 1013/4885PDPK1 2649/4885

“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.