SCHEMBL15840683

SCHEMBL15840683

FC(F)(F)c1cc(C(F)(F)F)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.67
MAPT P10636 7/20 0.64
GAA P10253 4/20 0.62
ADORA1 P30542 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
THRB P10828 1/20 0.54
KDM4E B2RXH2 4/20 0.49
MAT2A P31153 1/20 0.49
KMT2A Q03164 3/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL15840764 0.81 ADORA1 (0.83) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL11704650 0.77 MAPT (1.00) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL15840691 0.77 TP53 (0.56) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL15840772 0.76 ADORA1 (0.67) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL11706624 0.75 GAA (0.60) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL5218874 0.75 TP53 (0.77) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL3486780 0.74 MAPT (0.68) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL3487204 0.74 MAPT (0.68) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL13585302 0.73 MAPK1 (0.65) TP53MAPTGAAADORA1SMN1; SMN2
SCHEMBL15840693 0.72 ADORA1 (1.00) TP53MAPTGAAADORA1SMN1; SMN2

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 TP53 230/4885MAPT 1076/4885GAA 3478/4885

“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.