SCHEMBL1644191

SCHEMBL1644191

CC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.50
PIK3R1 P27986 5/20 0.50
MTOR P42345 4/20 0.50
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE11A Q9HCR9 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
USP2 O75604 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44

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
SCHEMBL1644300 0.88 TLR7 (0.57) TLR7EGLN1TP53
SCHEMBL10272097 0.85 SIRT2 (0.52) PIK3CAPIK3R1MTORNPSR1ALOX15
SCHEMBL1643365 0.82 KDM4E (0.53) TLR7NPSR1TSHRHSD17B10ALDH1A1
SCHEMBL1644313 0.81 HSD17B10 (0.62) NPSR1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL1644115 0.81 ABCG2 (0.50) TLR7NPSR1TSHRUSP2HSD17B10
SCHEMBL4303881 0.80 TLR7 (0.61) TLR7EGLN1HSD17B10
SCHEMBL1644154 0.79 HDAC6 (0.46) TLR7NPSR1CYP2C19ALDH1A1LMNA
SCHEMBL1643369 0.79 NTSR1 (0.53) CYP1A2CYP2C19ALDH1A1TP53LMNA
SCHEMBL1688393 0.76 TLR7 (0.54) TLR7NPSR1ALDH1A1LMNA
SCHEMBL1645135 0.76 MAPT (0.58) NPSR1CYP1A2ALOX15CYP3A4CYP2D6

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PIK3CA 1258/4885PIK3R1 3500/4885MTOR 1888/4885

“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.