SCHEMBL4288765

SCHEMBL4288765

O=C(Nc1c[nH]nc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.57
KMT2A Q03164 1/20 0.55
TLR7 Q9NYK1 1/20 0.52
RXFP1 Q9HBX9 11/20 0.52
CES1 P23141 1/20 0.52
CHUK O15111 1/20 0.50
RXFP2 Q8WXD0 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
APEX1 P27695 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
CSF1R P07333 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL28290705 0.85 KMT2A (0.71) BRAFKMT2ATLR7CES1MAPT
SCHEMBL30360592 0.85 KMT2A (0.71) BRAFKMT2ATLR7CES1MAPT
SCHEMBL4287390 0.84 KDR (0.56) POLBMAPTKDR
SCHEMBL8215155 0.80 NPC1 (0.51) MAPT
SCHEMBL4279957 0.77 HDAC3 (0.44) KMT2ATLR7MAPT
SCHEMBL5269472 0.77 NPC1 (0.58) KMT2ARXFP1MAPT
SCHEMBL4284549 0.76 NPC1 (0.50) MAPT
SCHEMBL4284371 0.76 HDAC1 (0.52) KMT2AMAPTKDR
SCHEMBL4286948 0.75 KMT2A (0.50) KMT2AMAPTKDR
SCHEMBL4293196 0.75 KMT2A (0.44) KMT2A

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP BRAF 32/4885KMT2A 871/4885TLR7 4243/4885

“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.