SCHEMBL2240257

SCHEMBL2240257

c1cc(-c2ccnc3[nH]ccc23)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.74
CHUK O15111 4/20 0.74
AURKB Q96GD4 3/20 0.74
IGF1R P08069 2/20 0.74
DYRK1B Q9Y463 2/20 0.74
DAPK3 O43293 1/20 0.74
JAK2 O60674 1/20 0.74
PRKD3 O94806 1/20 0.74
MAP4K4 O95819 1/20 0.74
PAK4 O96013 1/20 0.74
CSF1R P07333 1/20 0.74
RET P07949 1/20 0.74
FGFR1 P11362 1/20 0.74
PRKACA P17612 1/20 0.74
FLT1 P17948 1/20 0.74
LTK P29376 1/20 0.74
GRK5 P34947 1/20 0.74
KDR P35968 1/20 0.74
MAP2K2 P36507 1/20 0.74
MAPK8 P45983 1/20 0.74

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
SCHEMBL730230 0.87 CCNK (0.63) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL857275 0.85 IKBKB (1.00) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL2240671 0.84 AURKB (0.71) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL4790931 0.83 IKBKB (0.57) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL12127926 0.82 IKBKB (0.70) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL4771643 0.82 IKBKB (0.70) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL12127858 0.82 IKBKB (0.93) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL31065020 0.82 IKBKB (0.70) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL4792517 0.82 IKBKB (0.70) IKBKBCHUKAURKBIGF1RDYRK1B
SCHEMBL1718742 0.82 NUDT1 (0.73) IKBKBCHUKAURKBIGF1RDYRK1B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US 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
CN-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO disclosed
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 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 (3 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 IKBKB 436/4885CHUK 212/4885AURKB 296/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 IKBKB 246/4885CHUK 163/4885AURKB 58/4885
US-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 IKBKB 138/4885CHUK 31/4885AURKB 394/4885

“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.