SCHEMBL2240671

SCHEMBL2240671

c1cc(-c2ccnc3[nH]ccc23)c2cc[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.71
IKBKB O14920 3/20 0.71
CHUK O15111 3/20 0.71
IGF1R P08069 2/20 0.71
DYRK1B Q9Y463 2/20 0.71
DAPK3 O43293 1/20 0.71
JAK2 O60674 1/20 0.71
PRKD3 O94806 1/20 0.71
MAP4K4 O95819 1/20 0.71
PAK4 O96013 1/20 0.71
CSF1R P07333 1/20 0.71
RET P07949 1/20 0.71
FGFR1 P11362 1/20 0.71
PRKACA P17612 1/20 0.71
FLT1 P17948 1/20 0.71
LTK P29376 1/20 0.71
GRK5 P34947 1/20 0.71
KDR P35968 1/20 0.71
MAP2K2 P36507 1/20 0.71
MAPK8 P45983 1/20 0.71

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
SCHEMBL12127272 0.86 PRKCI (0.67) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL29789047 0.86 PRKCI (0.67) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL26174482 0.85 DYRK1B (0.63) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL1840342 0.85 IGF1R (0.60) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL2240257 0.84 IKBKB (0.74) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL857275 0.84 IKBKB (1.00) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL10080580 0.84 AURKB (0.63) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL2097365 0.84 IKBKB (0.63) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL4791546 0.84 NUDT1 (0.71) AURKBIKBKBCHUKIGF1RDYRK1B
SCHEMBL10125138 0.84 IKBKB (0.84) AURKBIKBKBCHUKIGF1RDYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US 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 AURKB 58/4885IKBKB 246/4885CHUK 163/4885

“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.