SCHEMBL22646883

SCHEMBL22646883

C[C@@H](N)c1cc(F)ccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ JAK2 O60674 4/20 0.35
▸ HTR2C P28335 1/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ APP P05067 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL11890404 0.85 HTR2A (0.39) HTR2ASLC6A4KCNH2JAK2MEN1
SCHEMBL16956920 0.82 HTR2A (0.37) HTR2ASLC6A4KCNH2JAK2ALK
SCHEMBL29429683 0.81 CYP2D6 (0.49) HTR2ASLC6A4KCNH2HTR2CALK
SCHEMBL896090 0.81 CYP2D6 (0.49) HTR2ASLC6A4KCNH2HTR2CALK
SCHEMBL669891 0.81 CYP2D6 (0.49) HTR2ASLC6A4KCNH2HTR2CALK
SCHEMBL895659 0.81 CYP2D6 (0.49) HTR2ASLC6A4KCNH2HTR2CALK
SCHEMBL20371087 0.81 MCHR1 (0.39) HTR2ASLC6A4KCNH2JAK2HTR2C
SCHEMBL18376038 0.80 HTR2A (0.34) HTR2ASLC6A4KCNH2PDE2AJAK2
SCHEMBL16830034 0.79 ALOX12 (0.41) MEN1KMT2AHTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL16756389 0.78 ALDH1A1 (0.40) MEN1KMT2ALMNAL3MBTL1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025908-A1 COMPOUND USED AS KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2024-01-25 — — US disclosed
WO-2020224626-A1 COMPOUND USED AS KINASE INHIBITOR AND APPLICATION THEREOF 浙江同源康医药股份有限公司 2020-11-12 — — 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-20240025908-A1 COMPOUND USED AS KINASE INHIBITOR AND USE THEREOF ROS1, ALK, RET HTR2A 4196/4885SLC6A4 2823/4885KCNH2 2741/4885

“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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