SCHEMBL1840887

SCHEMBL1840887

Brc1ccnc2[nH]c(-c3cn[nH]c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
PRMT5 O14744 1/20 0.42
FYN P06241 2/20 0.41
CLK2 P49760 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK3 P49761 1/20 0.41
PRKCI P41743 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAPT P10636 2/20 0.37
ALK Q9UM73 1/20 0.37
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37

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
SCHEMBL20927793 0.82 PRMT5 (0.45) AURKAAURKBINCENPTPX2PRMT5
SCHEMBL3604759 0.78 ADORA2A (0.56) PRKCICCNB2CDK1CCNB1GSK3A
SCHEMBL1841326 0.76 AURKA (0.48) AURKAAURKBINCENPTPX2PRMT5
SCHEMBL25594665 0.72 PRMT5 (0.48) AURKAPRMT5FYNCCNA2CDK2
SCHEMBL4319429 0.71 PRKCI (0.48) AURKAPRKCICCNB2CDK1CCNB1
SCHEMBL31634054 0.71 PRKCI (0.48) AURKAPRKCICCNB2CDK1CCNB1
SCHEMBL20928424 0.70 CLK2 (0.54) CLK2DYRK1ACLK3
SCHEMBL4736127 0.70 AURKA (0.60) AURKAAURKBINCENPTPX2MAPK8
SCHEMBL1836050 0.69 CCNT1 (0.56) AURKAAURKBCLK2DYRK1ACLK3
SCHEMBL24493222 0.67 PRKCI (0.48) AURKAAURKBPRKCICCNB2CDK1

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
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
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN 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 AURKA 68/4885AURKB 58/4885INCENP 2891/4885

“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.