SCHEMBL2380875

SCHEMBL2380875

COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCNCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.72
CDK9 P50750 7/20 0.72
CDK1 P06493 5/20 0.72
CDK2 P24941 5/20 0.72
CCNT1 O60563 4/20 0.72
CDK3 Q00526 3/20 0.72
CDK5 Q00535 3/20 0.72
GSK3A P49840 2/20 0.72
CCNB1 P14635 2/20 0.72
CCNE1 P24864 2/20 0.72
CCNA1 P78396 2/20 0.72
CDK5R1 Q15078 2/20 0.72
MAPK14 Q16539 6/20 0.55
MAPK8 P45983 2/20 0.55
MAPK10 P53779 2/20 0.55
ABL1 P00519 2/20 0.55
CASP3 P42574 1/20 0.52
CDK7 P50613 1/20 0.52
CASP7 P55210 1/20 0.52
CDK4 P11802 1/20 0.50

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
SCHEMBL2381619 0.91 CDK9 (0.79) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2380941 0.90 CDK9 (0.77) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2401576 0.88 GSK3B (0.74) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2401133 0.88 GSK3B (0.74) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2371554 0.86 GSK3B (0.76) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2370966 0.86 GSK3B (0.79) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2381744 0.86 GSK3B (0.65) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL25082021 0.85 CDK9 (0.62) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL1850030 0.84 CDK9 (0.70) GSK3BCDK9CDK1CDK2CCNT1
SCHEMBL2370688 0.84 GSK3B (0.86) GSK3BCDK9CDK1CDK2CCNT1

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 19 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
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP claimed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US claimed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO 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
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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 (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 GSK3B 25/4885CDK9 26/4885CDK1 1/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 GSK3B 25/4885CDK9 26/4885CDK1 1/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 GSK3B 25/4885CDK9 26/4885CDK1 1/4885

“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.