SCHEMBL10276685

SCHEMBL10276685

Cc1nn2c(=O)c(C)c(-c3ccc(F)cc3F)[nH]c2c1-c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
PLAT P00750 6/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ARF6 P62330 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPA1 O75762 1/20 0.33
GNRHR P30968 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL10275276 0.96 HSD11B1 (0.40) HSD11B1STK10SLKPLATAKR1C3
SCHEMBL10276028 0.84 PLAT (0.40) PLATPDE3BPDE3AARF6PGR
SCHEMBL10275273 0.82 PLAT (0.40) PLATPDE3BPDE3AARF6PGR
SCHEMBL10313534 0.81 PGR (0.38) PLATPDE3BPDE3AARF6ALDH1A1
SCHEMBL10276366 0.78 HSD11B1 (0.44) HSD11B1AKR1C3AKR1C2PGRNR3C2
SCHEMBL10276103 0.78 PGR (0.37) PDE3BPDE3AARF6ALDH1A1PGR
SCHEMBL10276488 0.76 MAPK14 (0.38) PLATALDH1A1PGRNR3C2
SCHEMBL10275295 0.75 MAPK14 (0.37) PDE3BPDE3AARF6PGRNR3C2
SCHEMBL10275784 0.74 KDM4E (0.40) PLATARF6
SCHEMBL10276317 0.73 ALDH1A1 (0.44) PLATARF6ALDH1A1

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 HSD11B1 831/4885STK10 3253/4885SLK 2317/4885

“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.