SCHEMBL3526176

SCHEMBL3526176

CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cnccn34)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 6/20 0.72
MAPK9 P45984 6/20 0.72
CSNK1A1 P48729 6/20 0.72
PRKD2 Q9BZL6 6/20 0.72
CSNK1D P48730 5/20 0.72
CLK4 Q9HAZ1 5/20 0.72
MAP4K4 O95819 5/20 0.72
CSNK1G2 P78368 5/20 0.72
TAOK1 Q7L7X3 5/20 0.72
MINK1 Q8N4C8 5/20 0.72
CSNK1G3 Q9Y6M4 5/20 0.72
GSK3B P49841 5/20 0.72
MAPK8 P45983 4/20 0.72
GSK3A P49840 4/20 0.72
MAPK1 P28482 3/20 0.72
CSNK1G1 Q9HCP0 3/20 0.72
CDK2 P24941 2/20 0.72
MAP3K20 Q9NYL2 3/20 0.62
MAP4K5 Q9Y4K4 2/20 0.62
FLT4 P35916 2/20 0.62

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
SCHEMBL3526576 0.89 PRKD3 (0.58) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3524490 0.89 PRKD3 (0.74) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3527123 0.87 PRKD3 (0.62) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3523193 0.84 PRKD3 (0.70) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3808892 0.84 MAPK8 (0.73) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3808587 0.84 PRKD3 (1.00) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL28776170 0.84 PRKD3 (0.58) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL27721085 0.78 PRKD3 (0.73) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL3525576 0.76 MAPK9 (0.62) PRKD3MAPK9CSNK1A1PRKD2CSNK1D
SCHEMBL14392140 0.76 MAPK8 (0.85) PRKD3MAPK9CSNK1A1PRKD2CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 PRKD3 365/4885MAPK9 189/4885CSNK1A1 77/4885

“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.