SCHEMBL16401577

SCHEMBL16401577

NCc1cn(-c2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 1.00
MAOA P21397 4/20 1.00
L3MBTL1 Q9Y468 1/20 0.68
MAOB P27338 2/20 0.66
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
CD74 P04233 1/20 0.53
MIF P14174 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
KDM1A O60341 1/20 0.50
P2RX7 Q99572 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL17076798 0.83 NOTUM (0.71) NOTUMMAOAL3MBTL1MAOBCA12
SCHEMBL27051679 0.81 NOTUM (0.70) NOTUMMAOAL3MBTL1MAOBCA12
SCHEMBL28340294 0.81 NOTUM (0.68) NOTUMMAOAL3MBTL1MAOBCA12
SCHEMBL2821461 0.81 NOTUM (1.00) NOTUMMAOAL3MBTL1CA12CA1
SCHEMBL28064712 0.81 NOTUM (0.68) NOTUMMAOAL3MBTL1CA12CA1
SCHEMBL3614213 0.81 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL4434629 0.81 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL3777938 0.81 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL16785617 0.80 NOTUM (0.66) NOTUMMAOAMAOB
Bromide SCHEMBL1882333 0.79 NOTUM (0.66) NOTUMMAOAL3MBTL1DRD2DRD4

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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
CN-106008474-A N<2> selective enol ether substituted triazole derivatives and preparation method thereof 上海大学 2016-10-12 CN disclosed
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 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 (3 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885MAOA 1916/4885L3MBTL1 2093/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 NOTUM 4527/4885MAOA 612/4885L3MBTL1 911/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885MAOA 1386/4885L3MBTL1 1800/4885

“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.