SCHEMBL5531200

SCHEMBL5531200

Cc1nc(C)c(-c2ccc(-c3ccccc3)cc2)nc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
ABL1 P00519 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
GRK5 P34947 1/20 0.54
KDR P35968 1/20 0.54
MAP2K2 P36507 1/20 0.54
CDK8 P49336 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PRKX P51817 1/20 0.54
NEK2 P51955 1/20 0.54
LIMK1 P53667 1/20 0.54
MAP2K1 Q02750 1/20 0.54
PRKCQ Q04759 1/20 0.54
MAP4K2 Q12851 1/20 0.54
DYRK1A Q13627 1/20 0.54
IKBKE Q14164 1/20 0.54
NTRK3 Q16288 1/20 0.54

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
SCHEMBL19439626 0.87 CHEK1 (0.59) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL12360763 0.86 ERBB2 (0.54) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL16519646 0.83 ERBB2 (0.40) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL19436405 0.82 CHEK1 (0.62) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL4417028 0.81 CHEK1 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL11370778 0.81 CHEK1 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL2255795 0.79 ENPP2 (0.42) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL11809427 0.78 CHEK1 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL7537686 0.77 ERBB2 (0.59) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL5535918 0.77 PLAU (0.50) CDK8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CHEK1 4197/4885ABL1 2885/4885PDGFRB 1607/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CHEK1 4164/4885ABL1 2894/4885PDGFRB 1591/4885

“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.