SCHEMBL26352255

SCHEMBL26352255

CC(C)C(C)c1cc(C#N)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
NR1I2 O75469 1/20 0.38
SCN1B Q07699 1/20 0.38
TRPA1 O75762 2/20 0.36
TNF P01375 2/20 0.35
CYP2A6 P11509 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KIF11 P52732 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
ICMT O60725 1/20 0.33
GPR6 P46095 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL18487991 0.87 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL18487989 0.87 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL2693324 0.85 GAA (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL24629302 0.83 SCN1A (0.35) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL16952156 0.81 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL29668996 0.81 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL27945350 0.81 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL18450600 0.81 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL22303850 0.81 GAA (0.38) GAASMN1; SMN2SCN1ASCN5ASCN8A
SCHEMBL30682614 0.81 PDE2A (0.40) GAASMN1; SMN2SCN1ASCN5ASCN8A

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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 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 (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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 GAA 2645/4885SMN1; SMN2 4769/4885SCN1A 4138/4885

“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.