SCHEMBL4878952

SCHEMBL4878952

O=[N+]([O-])c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.58
MAPK14 Q16539 5/20 0.58
KDR P35968 2/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
PRKD1 Q15139 1/20 0.58
RIPK2 O43353 1/20 0.47
ACVR1B P36896 1/20 0.47
MET P08581 1/20 0.43
TGFBR2 P37173 1/20 0.41
RIPK1 Q13546 1/20 0.40
PDE4D Q08499 6/20 0.39
PDE4A P27815 4/20 0.39
PDE4C Q08493 3/20 0.39
MAT2A P31153 1/20 0.37
ADORA2A P29274 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL1647172 0.91 TGFBR1 (0.70) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL1646514 0.86 TGFBR1 (0.64) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL7942904 0.85 TGFBR1 (0.66) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL4872253 0.84 TGFBR1 (0.63) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL1646966 0.84 TGFBR1 (0.62) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL1647305 0.84 TGFBR1 (0.62) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL4877745 0.83 TGFBR1 (0.66) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL4874930 0.82 TGFBR1 (0.84) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL1647266 0.82 TGFBR1 (0.59) TGFBR1MAPK14KDRPDGFRAFLT1
SCHEMBL4868538 0.82 TGFBR1 (0.83) TGFBR1MAPK14KDRPDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US claimed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US claimed
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2013-09-19 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 US disclosed
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors IN2GEN CO., LTD. (KR) 2008-12-25 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-20130245066-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 TGFBR1 93/4885MAPK14 478/4885KDR 9/4885
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 TGFBR1 93/4885MAPK14 478/4885KDR 9/4885

“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.