SCHEMBL22353101

SCHEMBL22353101

Nc1ccc(-c2cnn[nH]2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CCNA1 P78396 1/20 0.40
NOTUM Q6P988 8/20 0.39
PIK3CD O00329 1/20 0.38
MPL P40238 3/20 0.34
KIF11 P52732 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP1A2 P05177 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
SCHEMBL349356 0.76 KIF11 (0.50) PIK3CDMPLKIF11FFAR4
SCHEMBL29403371 0.76 KIF11 (0.50) PIK3CDMPLKIF11FFAR4
SCHEMBL22353104 0.75 AR (0.46) KIF11CYP1A2
Hydrochloric Acid SCHEMBL8644024 0.74 KIF11 (0.48) PIK3CDMPLKIF11FFAR4
SCHEMBL5020247 0.74 SCN2A (0.46) NOTUMKIF11
SCHEMBL22353099 0.73 GAA (0.58) KIF11PDE3BPDE3ATRPA1
SCHEMBL2464408 0.73 METAP2 (0.38) NOTUMMPLKIF11
SCHEMBL5020244 0.72 SCN2A (0.56) NOTUM
SCHEMBL13411815 0.72 POLB (0.33)
SCHEMBL24427241 0.72 CYP2A6 (0.43) CDK2FLT3CCNA1PIK3CDMPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161835-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2021-11-02 US disclosed
US-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels ACQUIST LLC (US) 2020-10-29 US disclosed
US-10752613-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2020-08-25 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 (3 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-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels XDH, OAT, PON1 CDK2 2701/4885FLT3 1165/4885CCNA1 2844/4885
US-11161835-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 CDK2 2701/4885FLT3 1165/4885CCNA1 2844/4885
US-10752613-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 CDK2 2701/4885FLT3 1165/4885CCNA1 2844/4885

“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.