SCHEMBL3777007

SCHEMBL3777007

c1cnc2[nH]cc(-c3ccnc(NC4CCCCCC4)n3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 1.00
CDK1 P06493 8/20 1.00
PRKACA P17612 8/20 1.00
HIPK2 Q9H2X6 8/20 1.00
MAP4K4 O95819 7/20 1.00
GSK3B P49841 7/20 1.00
MKNK2 Q9HBH9 6/20 1.00
IRAK4 Q9NWZ3 6/20 1.00
JAK2 O60674 6/20 1.00
PIM1 P11309 6/20 1.00
FLT3 P36888 6/20 1.00
JAK3 P52333 6/20 1.00
CCNB2 O95067 5/20 1.00
CCNB1 P14635 5/20 1.00
CCNB3 Q8WWL7 5/20 1.00
KDR P35968 5/20 1.00
INSR P06213 4/20 1.00
ITK Q08881 4/20 1.00
PIM3 Q86V86 4/20 1.00
CSF1R P07333 4/20 1.00

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
SCHEMBL1047198 1.00 CDC7 (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3770553 0.99 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3782733 0.89 RET (0.83) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3769935 0.89 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3769946 0.89 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3770195 0.88 RET (0.81) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL1051098 0.88 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3775592 0.88 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL1051100 0.88 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4
SCHEMBL3775615 0.86 RET (1.00) CDC7CDK1PRKACAHIPK2MAP4K4

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 CDC7 319/4885CDK1 71/4885PRKACA 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.