SCHEMBL3489027

SCHEMBL3489027

Cn1ncc(Br)c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.45
HTR2C P28335 5/20 0.45
AKT1 P31749 4/20 0.42
NR3C2 P08235 1/20 0.41
GAA P10253 1/20 0.40
PDE2A O00408 3/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPK14 Q16539 1/20 0.38
PTGS2 P35354 2/20 0.37

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
SCHEMBL23087698 0.83 NPC1 (0.41) HTR2AHTR2CAKT1PDE2APRMT5
SCHEMBL9933261 0.81 HTR2A (0.54) HTR2AHTR2CAKT1PDE2APRMT5
SCHEMBL3562130 0.81 HTR2A (0.47) HTR2AHTR2CAKT1PDE2APRMT5
SCHEMBL1556865 0.81 HTR2A (0.48) HTR2AHTR2CAKT1MAPK14PTGS2
SCHEMBL23087462 0.80 HTR2A (0.46) HTR2AHTR2CAKT1PDE2APRMT5
SCHEMBL23087238 0.80 HTR2A (0.50) HTR2AHTR2CAKT1GAAPRMT5
SCHEMBL29735245 0.80 HTR2A (0.50) HTR2AHTR2CAKT1GAAPRMT5
Ammonia Solution, Strong SCHEMBL6202263 0.79 HTR2A (0.46) HTR2AHTR2CAKT1PDE2APRMT5
SCHEMBL4137079 0.79 BRAF (0.42) HTR2AHTR2CAKT1GAAMAPK14
SCHEMBL23087266 0.79 PTK2 (0.45) HTR2AAKT1PDE2APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2023-02-23 US disclosed
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2023-02-23 US disclosed
US-11492351-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-11-08 US disclosed
US-11479551-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-10-25 US disclosed
US-11479551-B2 MTA-cooperative PRMT5 inhibitors Mirati Therapeutics, Inc. (US) 2022-10-25 US disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
US-20210078994-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2021-03-18 US disclosed
US-20210079003-A1 MTA-Cooperative PRMT5 Inhibitors Mirati Therapeutics, Inc. 2021-03-18 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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 (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-11479551-B2 MTA-cooperative PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HTR2A 4615/4885HTR2C 4713/4885AKT1 128/4885
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 HTR2A 4300/4885HTR2C 3677/4885AKT1 527/4885
US-20210079003-A1 MTA-Cooperative PRMT5 Inhibitors PRMT5, PRMT1, PRMT3 HTR2A 4457/4885HTR2C 4536/4885AKT1 198/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 HTR2A 933/4885HTR2C 400/4885AKT1 3228/4885
US-20210078994-A1 MTA-Cooperative PRMT5 Inhibitors PRMT5, PRMT1, PRMT3 HTR2A 4457/4885HTR2C 4536/4885AKT1 198/4885
US-11492351-B2 MTA-cooperative PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HTR2A 4615/4885HTR2C 4713/4885AKT1 128/4885
US-20230054883-A1 MTA-Cooperative PRMT5 Inhibitors PRMT5, PRMT1, PRMT3 HTR2A 4457/4885HTR2C 4536/4885AKT1 198/4885

“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.