SCHEMBL1838430

SCHEMBL1838430

Nc1nccc(-c2c[nH]c3nccc(-c4cccc(CO)c4)c23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.54
CDK9 P50750 13/20 0.54
CCNA2 P20248 12/20 0.54
CDK2 P24941 12/20 0.54
CDK5 Q00535 10/20 0.54
CDK5R1 Q15078 10/20 0.54
CCNA1 P78396 7/20 0.54
LRRK2 Q5S007 3/20 0.52
PDPK1 O15530 2/20 0.49
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
HTR1A P08908 2/20 0.49
CCNB1 P14635 2/20 0.49
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
HTR2B P41595 2/20 0.49
GSK3B P49841 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
SLC6A3 Q01959 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
SCHEMBL13521507 0.89 LRRK2 (0.52) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2238967 0.85 CCNT1 (0.65) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2986205 0.83 CDK2 (0.67) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2996921 0.83 CCNT1 (0.64) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1843005 0.82 CCNT1 (0.61) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2999752 0.80 CCNT1 (0.63) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1839153 0.78 MAPK8 (0.49) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2993574 0.78 CCNT1 (0.62) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2996613 0.78 CCNT1 (0.70) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL13521496 0.78 CDK5 (0.65) CCNT1CDK9CCNA2CDK2CDK5

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 7 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

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 CCNT1 25/4885CDK9 6/4885CCNA2 39/4885

“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.