SCHEMBL1643375

SCHEMBL1643375

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
SIRT5 Q9NXA8 1/20 0.50
TLR7 Q9NYK1 2/20 0.47
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CCNE2 O96020 10/20 0.44
CCNE1 P24864 10/20 0.44
CDK2 P24941 10/20 0.44
CDK4 P11802 7/20 0.44
CCND1 P24385 7/20 0.44
CCNA2 P20248 1/20 0.42
CCNA1 P78396 1/20 0.42
MEN1 O00255 2/20 0.40
CHEK1 O14757 1/20 0.39
FLT3 P36888 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1285218 0.91 CSNK2A1 (0.54) KMT2ASIRT5TLR7CSNK2A2CSNK2B
SCHEMBL1688412 0.89 KMT2A (0.48) KMT2ASIRT5TLR7CSNK2A2CSNK2B
SCHEMBL1645135 0.82 MAPT (0.58) KMT2ACSNK2A1MEN1FLT3CYP1A2
SCHEMBL1644149 0.74 PPARG (0.36) KMT2ASIRT5TLR7CSNK2A2CSNK2B
SCHEMBL1284831 0.73 MAPT (0.58) KMT2ACSNK2A1MEN1FLT3CYP1A2
SCHEMBL13975842 0.73 TLR7 (0.56) TLR7CYP3A4CYP2D6
SCHEMBL1688376 0.72 MAPT (0.57) KMT2AMEN1FLT3TSHR
SCHEMBL17254446 0.71 ALDH1A1 (0.46) KMT2AMEN1CYP1A2
SCHEMBL11108977 0.68 KMT2A (0.53) KMT2AMEN1
SCHEMBL1644300 0.68 TLR7 (0.57) KMT2ATLR7CCNE2CCNE1CDK2

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 KMT2A 4280/4885SIRT5 1568/4885TLR7 1332/4885

“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.