SCHEMBL24908210

SCHEMBL24908210

O=Nc1cnn(CC(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.33
ROCK1 Q13464 1/20 0.32
ACHE P22303 1/20 0.31
NAMPT P43490 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL24907425 0.75
SCHEMBL18156042 0.74 ACHE (0.38) ROCK1ACHEHCRTR1HCRTR2
SCHEMBL10249223 0.73 EPHB4 (0.43)
SCHEMBL13494687 0.72 L3MBTL1 (0.33)
SCHEMBL11918420 0.71 AR (0.38) LRRK2ACHE
SCHEMBL611806 0.71 MAPT (0.47) LRRK2ROCK1ACHE
SCHEMBL26771957 0.71 LRRK2 (0.35) LRRK2ROCK1ACHEHCRTR1HCRTR2
SCHEMBL23022219 0.71 EPHX2 (0.37) LRRK2ROCK1ACHENAMPTHCRTR1
SCHEMBL671951 0.71 ALDH1A1 (0.43) LRRK2ROCK1
SCHEMBL2378629 0.71 AR (0.38) LRRK2ROCK1ACHENAMPTHCRTR1

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-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2023-01-26 US disclosed
CN-106459051-B Macrocyclic FXIA Inhibitors Containing Heterocyclic Groups 百时美施贵宝公司 2018-10-16 CN disclosed
CN-102498110-A 2- (LH-pyrazol-4-ylamino) -pyrimidine as kinase inhibitors ABBOTT LAB 2012-06-13 CN 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-20230027026-A1 FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DPYD, TYMP, TYMS LRRK2 1579/4885ROCK1 4273/4885ACHE 3165/4885

“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.