SCHEMBL2401067

SCHEMBL2401067

COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CCC[C@@H](NC(C)=O)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 17/20 1.00
CCNT1 O60563 9/20 1.00
CDK1 P06493 5/20 1.00
CDK2 P24941 5/20 1.00
CDK3 Q00526 3/20 1.00
CDK5 Q00535 3/20 1.00
GSK3B P49841 3/20 1.00
CCNB1 P14635 2/20 1.00
CCNE1 P24864 2/20 1.00
GSK3A P49840 2/20 1.00
CCNA1 P78396 2/20 1.00
CDK5R1 Q15078 2/20 1.00
CDK4 P11802 3/20 0.74
CCND1 P24385 2/20 0.57
CASP3 P42574 1/20 0.49
CASP7 P55210 1/20 0.49
ABL1 P00519 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL2401071 1.00 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL12317644 1.00 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2401101 1.00 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2370737 1.00 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2401065 1.00 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2401909 0.94 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2370461 0.94 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL16863827 0.94 CDK9 (1.00) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2370242 0.93 CDK9 (0.86) CDK9CCNT1CDK1CDK2CDK3
SCHEMBL2401127 0.93 CDK9 (0.86) CDK9CCNT1CDK1CDK2CDK3

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 CDK9 26/4885CCNT1 38/4885CDK1 1/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CDK9 26/4885CCNT1 38/4885CDK1 1/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 CDK9 26/4885CCNT1 38/4885CDK1 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.