SCHEMBL21777006

SCHEMBL21777006

Fc1ccc(-n2ccnn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 1.00
KEAP1 Q14145 1/20 0.61
CYP19A1 P11511 1/20 0.50
KMT2A Q03164 1/20 0.42
FLT3 P36888 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL10447781 0.89 NOTUM (0.78) NOTUMKEAP1CYP19A1
SCHEMBL1186707 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL8117312 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL3681868 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL239581 0.78 NOTUM (1.00) NOTUMKEAP1CYP19A1FLT3
SCHEMBL76794 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL482167 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL22163916 0.78 KEAP1 (0.67) NOTUMKEAP1CYP19A1CYP11B1CYP11B2
SCHEMBL11102521 0.78 NOTUM (1.00) NOTUMKEAP1CYP19A1FLT3
SCHEMBL3089639 0.78 NOTUM (0.64) NOTUMKEAP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
US-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2024-12-03 US disclosed
US-20240043425-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2024-02-08 US disclosed
CN-114907323-B Quinoxalinone compounds, preparation method and application thereof 内蒙古民族大学 2023-08-15 CN disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof NOVARTIS AG (CH) 2023-07-25 US disclosed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
WO-2022204902-A1 BENZOTHIAZINONE DERIVATIVE SUBSTITUTED WITH TRIFLUOROMETHYL AT 6-POSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州大学 2022-10-06 WO disclosed
CN-114907323-A Quinoxalinone compounds and preparation method and application thereof 内蒙古民族大学 2022-08-16 CN disclosed
WO-2022034529-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2022-02-17 WO disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 US disclosed
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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 (7 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-12157737-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 NOTUM 3732/4885KEAP1 1880/4885CYP19A1 548/4885
US-11708366-B2 Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof REN, NR3C2, PKD1 NOTUM 3732/4885KEAP1 1880/4885CYP19A1 548/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885KEAP1 764/4885CYP19A1 1679/4885
US-20240043425-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 NOTUM 3732/4885KEAP1 1880/4885CYP19A1 548/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KEAP1 411/4885CYP19A1 868/4885
US-20250092042-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, PKD1, PKD2 NOTUM 3519/4885KEAP1 2558/4885CYP19A1 750/4885
US-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 NOTUM 3732/4885KEAP1 1880/4885CYP19A1 548/4885

“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.