SCHEMBL1836050

SCHEMBL1836050

CC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cn[nH]c4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.56
CDK9 P50750 2/20 0.56
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
MAPK8 P45983 3/20 0.50
CHUK O15111 2/20 0.50
INSR P06213 2/20 0.50
CAMKK2 Q96RR4 2/20 0.50
MAP3K5 Q99683 1/20 0.48
NTRK1 P04629 1/20 0.48
KIT P10721 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
EGFR P00533 2/20 0.44
TTK P33981 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
RIPK1 Q13546 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43

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 0.84 CCNT1 (0.61) CCNT1CDK9AURKAAURKBMAPK8
SCHEMBL1837573 0.82 CCNT1 (0.53) CCNT1CDK9AURKAAURKBMAPK8
SCHEMBL1843183 0.80 CCNT1 (0.59) CCNT1CDK9AURKAAURKBMAPK8
SCHEMBL28656277 0.78 MAP3K5 (0.63) MAP3K5NTRK1KDM4EMEN1ALDH1A1
SCHEMBL13521660 0.76 CHUK (0.51) CCNT1CDK9AURKAAURKBMAPK8
SCHEMBL1841326 0.74 AURKA (0.48) AURKAAURKBMAPK8CHUKINSR
SCHEMBL1719320 0.74 JAK3 (0.67) CCNT1CDK9AURKBMAPK8CHUK
SCHEMBL2237493 0.73 CCNT1 (0.42) CCNT1CDK9AURKAAURKBMAPK8
SCHEMBL16052224 0.72 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16331875 0.71 FYN (0.70) CCNT1CDK9AURKAAURKBMAP3K5

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 6/4885AURKA 68/4885

“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.