SCHEMBL4329913

SCHEMBL4329913

COC(=O)c1nc2c(ncn2C)c(F)c1Nc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MAP2K2 P36507 2/20 0.40
MAP2K1 Q02750 2/20 0.40
ABCB11 O95342 1/20 0.40
NQO2 P16083 1/20 0.40
MAPK14 Q16539 7/20 0.39
CSF1R P07333 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 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
ACLY P53396 1/20 0.35
SMC2 O95347 1/20 0.35
EGFR P00533 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
SCHEMBL4326016 0.86 MAP2K1 (0.55) MAP2K2MAP2K1ABCB11NQO2SMC2
SCHEMBL22557822 0.81 MAP2K1 (0.54) KDM4EMAP2K2MAP2K1ABCB11NQO2
SCHEMBL4340818 0.79 RAB9A (0.39) KDM4ECSF1RTP53ALDH1A1MAPT
SCHEMBL4340927 0.78 AURKA (0.38) KDM4ECSF1RTP53ALDH1A1MAPT
SCHEMBL1341312 0.76 BRD4 (0.41) KDM4ECSF1RMAPTNPC1RAB9A
SCHEMBL4322051 0.76 KDM4E (0.42) KDM4ECSF1RTP53ALDH1A1MAPT
SCHEMBL4328713 0.76 NPSR1 (0.36) KDM4EMAPK14ALDH1A1MAPTRAB9A
SCHEMBL4321847 0.76 LRRK2 (0.39) KDM4ECSF1RTP53ALDH1A1MAPT
SCHEMBL4334335 0.75 MAP2K1 (0.53) MAP2K2MAP2K1ABCB11NQO2SMC2
SCHEMBL4332420 0.75 NPC1 (0.38) KDM4ECSF1RTP53ALDH1A1MAPT

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 5 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
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 KDM4E 728/4885MAP2K2 63/4885MAP2K1 77/4885

“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.