SCHEMBL4874982

SCHEMBL4874982

Cc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 1.00
MAPK14 Q16539 8/20 0.70
PRKD1 Q15139 2/20 0.70
KDR P35968 2/20 0.70
PDGFRA P16234 1/20 0.70
FLT1 P17948 1/20 0.70
FLT4 P35916 1/20 0.70
RIPK2 O43353 1/20 0.57
ACVR1B P36896 1/20 0.57

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
SCHEMBL4876398 0.93 TGFBR1 (0.87) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4876401 0.92 TGFBR1 (0.85) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4868538 0.91 TGFBR1 (0.83) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL14086498 0.91 TGFBR1 (0.83) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4872666 0.91 TGFBR1 (0.83) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4875690 0.90 TGFBR1 (0.81) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4876173 0.88 TGFBR1 (0.78) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL1647719 0.87 TGFBR1 (0.77) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL4870810 0.86 TGFBR1 (0.76) TGFBR1MAPK14PRKD1KDRPDGFRA
SCHEMBL3176239 0.86 TGFBR1 (0.75) TGFBR1MAPK14PRKD1KDRPDGFRA

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 478/4885PRKD1 2178/4885
US-20080319012-A1 2-Pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors ALK, ERBB4, ACVR1 TGFBR1 93/4885MAPK14 478/4885PRKD1 2178/4885

“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.