SCHEMBL10313477

SCHEMBL10313477

Cc1ccc(-c2c(C)nn3c(=O)c(C)c(-c4ccc(C(F)(F)F)nc4)[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
KDM5B Q9UGL1 1/20 0.37
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
PLAT P00750 2/20 0.34
RAD51 Q06609 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 2/20 0.32
METAP2 P50579 2/20 0.32
PTGES O14684 1/20 0.32
HDAC3 O15379 1/20 0.32
PDPK1 O15530 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
SCHEMBL10275770 0.93 CNR1 (0.41) CNR1KDM5BPSEN1PSEN2APH1B
SCHEMBL10313522 0.85 MAPT (0.39) CNR1PLATCYP2C9CYP2C19ALOX5
SCHEMBL10313459 0.84 PDE2A (0.41) PLATPDE5A
SCHEMBL10313531 0.82 CNR1 (0.41) CNR1KDM5BPLATMETAP2
SCHEMBL10313475 0.81 ALPL (0.41) CNR1KDM5BALPLALPIPLAT
SCHEMBL10275634 0.79 GPR119 (0.42) CNR1TSHR
SCHEMBL27943291 0.77 PLAT (0.43) PLATMAPK14
SCHEMBL10313521 0.77 CNR1 (0.39) CNR1KDM5BALPLALPIRAD51
SCHEMBL10313461 0.76 SLC11A2 (0.38) CNR1PLATMAPK14
SCHEMBL10313534 0.75 PGR (0.38) PLATMAPK14PDE3BPDE3A

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 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 CNR1 877/4885KDM5B 4174/4885ALPL 1571/4885

“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.