SCHEMBL3976625

SCHEMBL3976625

O=C(Nc1cccc(B(O)O)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
KCNK3 O14649 2/20 0.71
LMNA P02545 1/20 0.70
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PTGS1 P23219 2/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
KCNK9 Q9NPC2 1/20 0.66
P2RX1 P51575 1/20 0.66
RXFP1 Q9HBX9 2/20 0.62
MGLL Q99685 1/20 0.58
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
TSHR P16473 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57
POLB P06746 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57

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
SCHEMBL5492560 0.95 MAPT (0.76) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL4286068 0.87 MAPT (0.94) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL30739929 0.83 LMNA (1.00) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL4517587 0.83 LMNA (1.00) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL2494871 0.82 KCNK3 (0.81) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL15094033 0.82 MAPT (0.78) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL2859341 0.82 MEN1 (0.78) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL4656855 0.82 MAPT (0.78) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL3789938 0.81 KCNK3 (0.71) MAPTKCNK3MEN1KMT2ARAB9A
SCHEMBL20073524 0.81 MAPT (0.81) MAPTKCNK3LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 MAPT 4086/4885KCNK3 1832/4885LMNA 3993/4885

“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.