SCHEMBL4340927

SCHEMBL4340927

COC(=O)c1nc2c(N)n(C)nc2c(F)c1Nc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
PLK1 P53350 1/20 0.38
CCNA1 P78396 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CLK1 P49759 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.36
FYN P06241 1/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 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
SCHEMBL4340818 0.88 RAB9A (0.39) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4324520 0.86 MAP2K1 (0.46)
SCHEMBL4332420 0.80 NPC1 (0.38) RAB9ANPC1KMT2AMEN1CLK1
SCHEMBL4329913 0.78 KDM4E (0.43) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL1341312 0.77 BRD4 (0.41) RAB9ANPC1SMN1; SMN2CSF1RKDM4E
SCHEMBL4330481 0.77 RAB9A (0.39) RAB9ANPC1KMT2AMEN1CLK1
SCHEMBL4321847 0.76 LRRK2 (0.39) RAB9ANPC1KMT2AMEN1CLK1
SCHEMBL4322051 0.75 KDM4E (0.42) RAB9ANPC1KMT2AMEN1CLK1
SCHEMBL4337754 0.74 L3MBTL1 (0.45) KMT2AMEN1TP53MAPT
SCHEMBL4330258 0.73 BRD4 (0.40) RAB9ANPC1SMN1; SMN2CSF1RKDM4E

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 AURKA 1831/4885CCNA2 137/4885CDK2 21/4885

“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.