SCHEMBL1645135

SCHEMBL1645135

CC(=O)c1ccc2nc(C(F)(F)F)nc(NCCCN3CCOCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.58
MELK Q14680 1/20 0.51
ACP1 P24666 1/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FLT3 P36888 4/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CSNK2A1 P68400 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1284831 0.93 MAPT (0.58) MAPTLMNAMELKACP1MAPK1
SCHEMBL1688376 0.91 MAPT (0.57) MAPTLMNAMELKACP1MAPK1
SCHEMBL1643375 0.82 KMT2A (0.50) TSHRMEN1KMT2AFLT3CSNK2A1
SCHEMBL1644150 0.78 MAPT (0.47) MAPTLMNAMELKACP1MAPK1
SCHEMBL1644191 0.76 PIK3CA (0.50) LMNAMAPK1TP53ALOX15TSHR
SCHEMBL1688412 0.72 KMT2A (0.48) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3976459 0.69 MAPT (0.67) MAPTLMNAACP1MAPK1TP53
SCHEMBL7442940 0.68 TOP2A (0.53) MAPTLMNAACP1MAPK1ALOX15
SCHEMBL1644300 0.67 TLR7 (0.57) MAPTTP53MEN1KMT2A
SCHEMBL17890281 0.67 FLT3 (0.86) MELKSMN1; SMN2FLT3

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 MAPT 3251/4885LMNA 2439/4885MELK 4185/4885

“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.