SCHEMBL4330258

SCHEMBL4330258

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
BRD2 P25440 4/20 0.40
BRD3 Q15059 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 2/20 0.36
FTO Q9C0B1 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4330481 0.88 RAB9A (0.39) BRD4BRD2BRD3CYP2C9CYP3A4
SCHEMBL1341312 0.84 BRD4 (0.41) BRD4BRD2BRD3CYP2C9CYP3A4
SCHEMBL1343123 0.78 BRD4 (0.45) BRD4BRD2BRD3CYP2C9CYP3A4
SCHEMBL4321847 0.77 LRRK2 (0.39) HIF1AKDM4EGAAMAPTNPC1
SCHEMBL4340818 0.76 RAB9A (0.39) KDM4EMAPTNPC1RAB9ANFKB1
SCHEMBL4322051 0.76 KDM4E (0.42) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL1344228 0.74 MAP2K1 (0.45) BRD4BRD2BRD3FTOMAPT
SCHEMBL4330906 0.74 MAP2K1 (0.42)
SCHEMBL4332420 0.74 NPC1 (0.38) HIF1AKDM4EGAAGFERMAPT
SCHEMBL4340927 0.73 AURKA (0.38) CYP1A2KDM4EMAPTNPC1RAB9A

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 BRD4 1204/4885BRD2 1960/4885BRD3 1649/4885

“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.