SCHEMBL10276366

SCHEMBL10276366

Cc1nn2c(=O)c(C)c(-c3ccc(F)cc3F)n(C)c2c1-c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.44
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
GRM5 P41594 1/20 0.34
THRB P10828 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL10276364 0.86 PGR (0.40) HSD11B1PGRNR3C2THRB
SCHEMBL10313536 0.83 PGR (0.42) PGRNR3C2GRM5THRB
SCHEMBL10282694 0.83 HSD11B1 (0.45) HSD11B1THRBAKR1C3AKR1C2
SCHEMBL10275794 0.82 PDE2A (0.39) HSD11B1PGRNR3C2
SCHEMBL10276685 0.78 HSD11B1 (0.40) HSD11B1PGRNR3C2AKR1C3AKR1C2
SCHEMBL10276067 0.78 PGR (0.39) PGRNR3C2GRM5THRB
SCHEMBL10276402 0.77 PGR (0.35) PGRNR3C2GRM5
SCHEMBL10275900 0.76 PGR (0.38) PGRNR3C2
SCHEMBL10275276 0.76 HSD11B1 (0.40) HSD11B1AKR1C3AKR1C2
SCHEMBL10276305 0.76 MAPT (0.44) PGRNR3C2AKR1C3AKR1C2

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 831/4885PGR 3472/4885NR3C2 1731/4885

“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.