SCHEMBL3520179

SCHEMBL3520179

CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 5/20 0.80
CCNA2 P20248 2/20 0.78
CDK2 P24941 2/20 0.78
CDK5 Q00535 2/20 0.78
CDK5R1 Q15078 2/20 0.78
MAPK14 Q16539 8/20 0.61
CSNK1D P48730 8/20 0.59
MAPK9 P45984 6/20 0.59
PRKD2 Q9BZL6 5/20 0.59
PRKD3 O94806 4/20 0.59
MAP4K4 O95819 4/20 0.59
CSNK1A1 P48729 4/20 0.59
MAPK8 P45983 3/20 0.59
TAOK1 Q7L7X3 3/20 0.59
CSNK1G2 P78368 3/20 0.59
MINK1 Q8N4C8 3/20 0.59
MAP4K5 Q9Y4K4 3/20 0.59
GSK3B P49841 2/20 0.59
MAP3K20 Q9NYL2 2/20 0.59
CCNT1 O60563 1/20 0.58

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
SCHEMBL3523508 0.88 CSNK1E (0.80) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL27721073 0.85 CSNK1E (0.76) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3526247 0.83 CSNK1E (0.71) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3522612 0.82 MAPK9 (0.58) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3522761 0.81 CSNK1E (0.69) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL27741879 0.81 CSNK1E (0.69) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3520464 0.79 CDK2 (0.67) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL1728799 0.78 CSNK1E (0.65) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL5134151 0.77 CSNK1E (0.64) CSNK1ECCNA2CDK2CDK5CDK5R1
SCHEMBL3528432 0.77 CSNK1E (0.59) CSNK1ECCNA2CDK2CDK5CDK5R1

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 CSNK1E 216/4885CCNA2 208/4885CDK2 2/4885

“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.