SCHEMBL4871859

SCHEMBL4871859

COc1ccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.58
MAPK14 Q16539 6/20 0.56
KDR P35968 2/20 0.56
PRKD1 Q15139 2/20 0.56
PDGFRA P16234 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
RIPK2 O43353 1/20 0.45
ACVR1B P36896 1/20 0.45
TGFBR2 P37173 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAT2A P31153 1/20 0.40
PDE10A Q9Y233 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL4877266 0.92 TGFBR1 (0.69) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4876116 0.90 TGFBR1 (0.56) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1649122 0.88 TGFBR1 (0.57) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4873299 0.86 TGFBR1 (0.59) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL7942904 0.86 TGFBR1 (0.66) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1646514 0.85 TGFBR1 (0.64) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL1646539 0.84 TGFBR1 (0.71) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4866996 0.84 TGFBR1 (0.71) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4873012 0.84 TGFBR1 (0.61) TGFBR1MAPK14KDRPRKD1PDGFRA
SCHEMBL4878981 0.83 TGFBR1 (0.73) TGFBR1MAPK14KDRPRKD1PDGFRA

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.