SCHEMBL3769946

SCHEMBL3769946

OC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 1.00
CDC7 O00311 10/20 0.81
CDK1 P06493 9/20 0.81
PRKACA P17612 8/20 0.81
HIPK2 Q9H2X6 8/20 0.81
GSK3B P49841 7/20 0.81
MKNK2 Q9HBH9 7/20 0.81
IRAK4 Q9NWZ3 7/20 0.81
MAPK9 P45984 7/20 0.81
JAK2 O60674 6/20 0.81
PIM1 P11309 6/20 0.81
FLT3 P36888 6/20 0.81
JAK3 P52333 6/20 0.81
MAPK8 P45983 6/20 0.81
MAP4K4 O95819 6/20 0.81
DAPK3 O43293 6/20 0.81
GSK3A P49840 6/20 0.81
MELK Q14680 6/20 0.81
NTRK3 Q16288 6/20 0.81
MINK1 Q8N4C8 6/20 0.81

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 1.00 RET (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3770553 0.91 RET (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL1051098 0.90 RET (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3770195 0.90 RET (0.81) RETCDC7CDK1PRKACAHIPK2
SCHEMBL1051100 0.90 RET (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3777007 0.89 CDC7 (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL1047198 0.89 CDC7 (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3782733 0.88 RET (0.83) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3775592 0.87 RET (1.00) RETCDC7CDK1PRKACAHIPK2
SCHEMBL3775661 0.87 RET (0.77) RETCDC7CDK1PRKACAHIPK2

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 2 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-20060183900-A1 Pyrimidinyl substituted fused-pyrrolyl compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-17 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 (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 319/4885CDK1 71/4885

“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.