SCHEMBL3770195

SCHEMBL3770195

CC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.81
CDC7 O00311 10/20 0.80
PRKACA P17612 10/20 0.80
HIPK2 Q9H2X6 10/20 0.80
GSK3B P49841 9/20 0.80
MAP4K4 O95819 9/20 0.80
CDK1 P06493 8/20 0.80
FLT3 P36888 8/20 0.80
JAK3 P52333 8/20 0.80
DAPK3 O43293 8/20 0.80
CSNK1A1 P48729 8/20 0.80
MINK1 Q8N4C8 8/20 0.80
STK17A Q9UEE5 8/20 0.80
DYRK1A Q13627 8/20 0.80
PIM1 P11309 7/20 0.80
PAK4 O96013 7/20 0.80
CLK2 P49760 7/20 0.80
CDK7 P50613 7/20 0.80
PRKX P51817 7/20 0.80
MAP4K2 Q12851 7/20 0.80

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
SCHEMBL3769935 0.90 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL3769946 0.90 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL3770553 0.90 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL1051100 0.89 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL1051098 0.89 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL1047198 0.88 CDC7 (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL3777007 0.88 CDC7 (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL13007978 0.88 RET (1.00) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL3782733 0.87 RET (0.83) RETCDC7PRKACAHIPK2GSK3B
SCHEMBL3775615 0.87 RET (1.00) RETCDC7PRKACAHIPK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-7855205-B2 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 US disclosed
WO-2006050076-A1 PYRIMIDINYL SUBSTITUTED FUSED-PYRROLYL COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO 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 (1 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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders TK1, MAP3K1, MAP3K2 RET 304/4885CDC7 319/4885PRKACA 31/4885

“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.