SCHEMBL1837573

SCHEMBL1837573

CC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4ccc5cn[nH]c5c4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
AURKB Q96GD4 4/20 0.52
AURKA O14965 3/20 0.52
CHUK O15111 2/20 0.51
INSR P06213 2/20 0.51
MAPK8 P45983 2/20 0.51
CAMKK2 Q96RR4 2/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAP4K4 O95819 2/20 0.50
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
CDK8 P49336 2/20 0.50
PRKX P51817 2/20 0.50
CLK2 P49760 2/20 0.50
PRKD3 O94806 1/20 0.50
NTRK1 P04629 1/20 0.50
PRKACA P17612 1/20 0.50
LTK P29376 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
SCHEMBL13521521 0.82 CCNT1 (0.61) CCNT1CDK9AURKBAURKACHUK
SCHEMBL1836050 0.82 CCNT1 (0.56) CCNT1CDK9AURKBAURKACHUK
SCHEMBL1843183 0.78 CCNT1 (0.59) CCNT1CDK9AURKBAURKACHUK
SCHEMBL13521660 0.78 CHUK (0.51) CCNT1CDK9AURKBAURKACHUK
SCHEMBL1842220 0.77 CCNK (0.58) CLK2CCNKCDK12EGFRPIM1
SCHEMBL2240728 0.75 MKNK1 (0.43) CCNT1CDK9AURKBAURKAMKNK1
SCHEMBL18066756 0.73 USP7 (0.66) AURKBMKNK1MKNK2MAP4K4PDGFRB
SCHEMBL1719320 0.71 JAK3 (0.67) CCNT1CDK9AURKBCHUKMAPK8
SCHEMBL14045319 0.71 ROCK2 (0.77) MAP4K4CLK2CLK4ROCK1DYRK1A
SCHEMBL31240483 0.69 MAP4K4 (0.53) AURKBAURKACHUKINSRMAPK8

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 8 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
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN 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
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 CCNT1 25/4885CDK9 6/4885AURKB 58/4885

“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.