SCHEMBL10275630

SCHEMBL10275630

CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2c1=O.Cc1c(-c2ccc(C#N)cc2)n(C)c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 4/20 0.38
SLC34A1 Q06495 5/20 0.36
PLAT P00750 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL10313819 0.91 ARF6 (0.44) ARF6SLC34A1PLATELANEALDH1A1
SCHEMBL10313845 0.86 ARF6 (0.39) ARF6MAPT
SCHEMBL10275823 0.82 ARF6 (0.46) ARF6PLATPARP1PARP2
SCHEMBL10275271 0.82 SLC34A1 (0.42) SLC34A1PLATGAAMAPTALDH1A1
SCHEMBL10275598 0.81 SLC34A1 (0.41) SLC34A1GAAMAPTALDH1A1L3MBTL1
SCHEMBL10275761 0.81 SLC34A1 (0.40) SLC34A1GAAALDH1A1PARP1PARP2
SCHEMBL10275336 0.79 ALDH1A1 (0.45) SLC34A1PLATALDH1A1L3MBTL1
SCHEMBL10275306 0.78 ARF6 (0.43) ARF6SLC34A1PLATL3MBTL1
SCHEMBL10276170 0.78 PLAT (0.45) ARF6SLC34A1PLATMAPTALDH1A1
SCHEMBL10275294 0.76 KDM1A (0.37) SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ARF6 3355/4885SLC34A1 474/4885PLAT 2180/4885

“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.