SCHEMBL12405147

SCHEMBL12405147

Cc1ccc(Nc2c(-c3nnc(N)o3)cc3[nH]cnc3c2F)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIM1 P11309 8/20 0.32
PIM3 Q86V86 8/20 0.32
PIM2 Q9P1W9 8/20 0.32

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
SCHEMBL4549818 0.91 PIM1 (0.32) KDM4EPIM1PIM3PIM2BRD4
SCHEMBL30536473 0.90 IDO1 (0.34) PIM1PIM3PIM2
SCHEMBL1040585 0.90 IDO1 (0.34) PIM1PIM3PIM2
SCHEMBL1039629 0.90 ANO1 (0.35) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL19141733 0.90 RAPGEF4 (0.36) TDO2RAPGEF4KMT2AMEN1MAPK1
SCHEMBL12403930 0.88 RAPGEF4 (0.35) TDO2RAPGEF4KMT2AMEN1MAPK1
SCHEMBL12403920 0.88 KMT2A (0.37) TDO2RAPGEF4KMT2AMEN1MAPK1
SCHEMBL12405152 0.83 RAPGEF4 (0.36) TDO2RAPGEF4KMT2AMEN1MAPK1
SCHEMBL1041920 0.81 MAP2K1 (0.35) TDO2PIM1PIM3PIM2
SCHEMBL13825437 0.81 NOTUM (0.34) TDO2KDM4EPIM1PIM3PIM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003805-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-10-14 US disclosed
US-7576114-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-07-24 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 (2 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-20080177082-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS TDO2 4318/4885RAPGEF4 1144/4885KMT2A 1415/4885
US-20100261717-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS BRAF, CCNI, NRAS TDO2 4318/4885RAPGEF4 1144/4885KMT2A 1415/4885

“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.