SCHEMBL2401117

SCHEMBL2401117

COc1ccc(F)cc1-c1ccnc(NC(=O)[C@@H](C)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CTSA P10619 4/20 0.48
TNIK Q9UKE5 1/20 0.46
ABL1 P00519 1/20 0.46
RIOK2 Q9BVS4 4/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
CDK9 P50750 4/20 0.46
GSK3A P49840 4/20 0.46
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
CDK3 Q00526 3/20 0.46
CDK5 Q00535 3/20 0.46
CCNT1 O60563 3/20 0.46
GSK3B P49841 2/20 0.46
CCNB1 P14635 2/20 0.46

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
SCHEMBL12294012 1.00 POLB (0.51) POLBCTSATNIKABL1RIOK2
SCHEMBL12268840 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL2401116 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL2401409 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL12661743 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL1849202 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL1853448 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL2382068 0.84 GSK3A (0.55) CTSARIOK2PSEN1PSEN2APH1B
SCHEMBL27901089 0.83 POLB (0.53) POLBRIOK2PSEN1PSEN2APH1B
SCHEMBL27901120 0.83 POLB (0.53) POLBRIOK2PSEN1PSEN2APH1B

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 16 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-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
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-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 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-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
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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 POLB 960/4885CTSA 2689/4885TNIK 536/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 POLB 960/4885CTSA 2689/4885TNIK 536/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 POLB 960/4885CTSA 2689/4885TNIK 536/4885

“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.