SCHEMBL1840342

SCHEMBL1840342

c1cc(-c2ccnc3[nH]ccc23)c2cc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.60
DYRK1B Q9Y463 2/20 0.60
AURKB Q96GD4 2/20 0.60
IKBKB O14920 2/20 0.60
CHUK O15111 2/20 0.60
JAK2 O60674 2/20 0.60
PRKACA P17612 2/20 0.60
JAK3 P52333 2/20 0.60
PRKCQ Q04759 2/20 0.60
ROCK1 Q13464 2/20 0.60
DAPK3 O43293 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CSF1R P07333 1/20 0.60
RET P07949 1/20 0.60
FGFR1 P11362 1/20 0.60
FLT1 P17948 1/20 0.60
LTK P29376 1/20 0.60
GRK5 P34947 1/20 0.60

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
SCHEMBL2240671 0.85 AURKB (0.71) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL20540332 0.81 PIK3CD (0.64) PIK3CDPIK3CBPIK3CG
SCHEMBL4794045 0.79 NUDT1 (0.63) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL14494199 0.79 NUDT1 (0.58) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL10124934 0.79 AURKB (0.55) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL4793014 0.78 IGF1R (0.63) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL4791546 0.78 NUDT1 (0.71) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL10125138 0.78 IKBKB (0.84) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL10080580 0.78 AURKB (0.63) IGF1RDYRK1BAURKBIKBKBCHUK
SCHEMBL2097365 0.78 IKBKB (0.63) IGF1RDYRK1BAURKBIKBKBCHUK

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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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 (2 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 IGF1R 562/4885DYRK1B 1040/4885AURKB 296/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 IGF1R 1531/4885DYRK1B 504/4885AURKB 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.