SCHEMBL4330481

SCHEMBL4330481

COC(=O)c1nc2c(N)noc2c(F)c1Nc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 4/20 0.39
CLK1 P49759 1/20 0.39
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL4330258 0.88 BRD4 (0.40) RAB9ANPC1CSF1RKDM4EBRD4
SCHEMBL4330906 0.86 MAP2K1 (0.42)
SCHEMBL1341312 0.81 BRD4 (0.41) RAB9ANPC1CSF1RKDM4EBRD4
SCHEMBL4332420 0.77 NPC1 (0.38) RAB9AKMT2ANPC1MEN1CLK1
SCHEMBL4340927 0.77 AURKA (0.38) RAB9AKMT2ANPC1MEN1CLK1
SCHEMBL4322051 0.75 KDM4E (0.42) RAB9AKMT2ANPC1MEN1CLK1
SCHEMBL4321847 0.74 LRRK2 (0.39) RAB9AKMT2ANPC1MEN1CLK1
SCHEMBL4340818 0.73 RAB9A (0.39) RAB9AKMT2ANPC1MEN1CSF1R
SCHEMBL1343394 0.72 KDM4E (0.40) RAB9AKMT2ANPC1MEN1CLK1
SCHEMBL4329913 0.72 KDM4E (0.43) RAB9ANPC1CSF1RKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 RAB9A 140/4885KMT2A 1909/4885NPC1 3658/4885

“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.