SCHEMBL25947383

SCHEMBL25947383

Cc1cc2c(cc1[N+](=O)[O-])CN(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.46
▸ MAOB P27338 4/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ GRIA1 P42261 2/20 0.42
▸ GRIA2 P42262 2/20 0.42
▸ GRIA3 P42263 2/20 0.42
▸ GRIA4 P48058 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL22864645 0.83 SIRT6 (0.50) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL20214612 0.83 HTR2A (0.51) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL30242517 0.83 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL17304273 0.83 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL20214458 0.83 MAPT (0.48) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL24039926 0.83 HTR2A (0.51) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL13875035 0.83 MAOA (0.45) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL2247039 0.83 MAPT (0.50) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL31391742 0.81 HTR2A (0.46) MAOAMAOBSLC6A4HTR2AHTR2C
SCHEMBL20939331 0.81 MAOA (0.67) MAOAMAOBSLC6A4LMNAMAPT

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
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 — — US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 — — US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 — — US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — 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 (4 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK MAOA 4518/4885MAOB 3710/4885SLC6A4 4579/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK MAOA 4518/4885MAOB 3710/4885SLC6A4 4579/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 MAOA 3869/4885MAOB 3593/4885SLC6A4 4214/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 MAOA 2176/4885MAOB 1738/4885SLC6A4 1675/4885

“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.

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