SCHEMBL1840596

SCHEMBL1840596

COc1ccnc2[nH]cc(-c3cc(Cl)nc(N)n3)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.72
CDK5 Q00535 9/20 0.72
CCNT1 O60563 8/20 0.72
CDK5R1 Q15078 8/20 0.72
CDK2 P24941 8/20 0.72
CCNA2 P20248 7/20 0.72
CCNA1 P78396 7/20 0.72
CDC7 O00311 2/20 0.58
DAPK3 O43293 2/20 0.58
PRKACA P17612 2/20 0.58
CDK8 P49336 2/20 0.58
CDK7 P50613 2/20 0.58
PRKX P51817 2/20 0.58
ROCK1 Q13464 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
ALK Q9UM73 2/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
PIM1 P11309 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
Meriolin 3 SCHEMBL2996575 0.84 CCNT1 (1.00) CDK9CDK5CCNT1CDK5R1CDK2
Meriolin 3 SCHEMBL29489951 0.84 CCNT1 (1.00) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL12347465 0.77 CDK9 (0.73) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL1839300 0.75 CDK9 (0.74) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL1839347 0.74 CCNT1 (0.72) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL1043697 0.74 CDK5 (1.00) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL2998751 0.73 CDK5 (0.75) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL1604182 0.72 CDK9 (0.67) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL2998156 0.72 CCNT1 (0.73) CDK9CDK5CCNT1CDK5R1CDK2
SCHEMBL2997834 0.72 CCNT1 (1.00) CDK9CDK5CCNT1CDK5R1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526931-A 2011-10-20 JP claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US claimed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP claimed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO claimed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 CDK9 6/4885CDK5 24/4885CCNT1 25/4885

“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.