SCHEMBL2401409

SCHEMBL2401409

COc1ccc(F)cc1-c1ccnc(NC(=O)[C@@H](C)c2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.46
TNIK Q9UKE5 1/20 0.44
ABL1 P00519 3/20 0.44
CDK9 P50750 5/20 0.43
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
CDK3 Q00526 3/20 0.43
CDK5 Q00535 3/20 0.43
GSK3B P49841 3/20 0.43
GSK3A P49840 2/20 0.43
CCNT1 O60563 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43
CCNA1 P78396 2/20 0.43
CDK5R1 Q15078 2/20 0.43
AAK1 Q2M2I8 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL2401116 1.00 CTSA (0.46) CTSATNIKABL1CDK9CDK1
SCHEMBL12268840 1.00 CTSA (0.46) CTSATNIKABL1CDK9CDK1
SCHEMBL27901088 0.85 AAK1 (0.43) GSK3BGSK3AAAK1PIK3C3RIOK2
SCHEMBL27883964 0.85 AAK1 (0.43) GSK3BGSK3AAAK1PIK3C3RIOK2
SCHEMBL12294012 0.84 POLB (0.51) CTSATNIKABL1CDK9CDK1
SCHEMBL2401117 0.84 POLB (0.51) CTSATNIKABL1CDK9CDK1
SCHEMBL2382068 0.77 GSK3A (0.55) CTSACDK9CDK1CDK2CDK3
SCHEMBL12294011 0.74 RIOK2 (0.55) CTSAABL1CDK9CDK1CDK2
SCHEMBL2400322 0.74 RIOK2 (0.55) CTSAABL1CDK9CDK1CDK2
SCHEMBL16863826 0.74 CDK9 (0.51) CTSACDK9CDK1CDK2CDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US claimed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US claimed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US claimed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US claimed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CTSA 2689/4885TNIK 536/4885ABL1 431/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CTSA 2689/4885TNIK 536/4885ABL1 431/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 CTSA 2689/4885TNIK 536/4885ABL1 431/4885

“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.