SCHEMBL3520110

SCHEMBL3520110

CSc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cnccn23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.48
MAPK14 Q16539 4/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
CDK2 P24941 3/20 0.45
CCNA2 P20248 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
PRKD3 O94806 4/20 0.43
MAPK9 P45984 4/20 0.43
CSNK1A1 P48729 4/20 0.43
CSNK1D P48730 4/20 0.43
PRKD2 Q9BZL6 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
MAP4K4 O95819 3/20 0.43
CSNK1G2 P78368 3/20 0.43

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
SCHEMBL14561099 0.88 MAPK14 (0.49) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL5410735 0.82 MAPK14 (0.54) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3520464 0.81 CDK2 (0.67) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL6214225 0.80 MAPK14 (0.73) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL11467792 0.77 LMNA (0.58) MAPK14CDK2CCNA2CDK5CDK5R1
SCHEMBL7676136 0.77 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL3522704 0.75 CDK2 (0.49) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL14561096 0.74 MAPK14 (0.47) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL5813593 0.72 MAPK14 (0.46) MAPK14CDK2CCNA2CDK5CDK5R1
SCHEMBL7222330 0.72 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11LMNA

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 6 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

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 CSNK1E 216/4885MAPK14 66/4885MAPK13 65/4885

“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.