SCHEMBL4830288

SCHEMBL4830288

c1cc(-c2ccc(N3CCOCC3)cc2)c2cc[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.58
IKBKB O14920 5/20 0.56
CHUK O15111 5/20 0.56
RPS6KA3 P51812 2/20 0.56
JAK3 P52333 2/20 0.56
ACVR1 Q04771 2/20 0.56
AURKB Q96GD4 2/20 0.56
JAK2 O60674 2/20 0.56
DAPK3 O43293 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
CSF1R P07333 1/20 0.56
RET P07949 1/20 0.56
IGF1R P08069 1/20 0.56
FGFR1 P11362 1/20 0.56
PRKACA P17612 1/20 0.56
FLT1 P17948 1/20 0.56
LTK P29376 1/20 0.56
GRK5 P34947 1/20 0.56

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
SCHEMBL31473445 0.86 ROCK2 (0.65) IKBKBCHUKRPS6KA3JAK3ACVR1
SCHEMBL12127519 0.86 TTBK1 (0.56) NEK1IKBKBCHUKRPS6KA3JAK3
SCHEMBL28875172 0.85 ACVR1 (0.64) IKBKBCHUKRPS6KA3JAK3ACVR1
SCHEMBL31473469 0.85 ACVR1 (0.64) IKBKBCHUKRPS6KA3JAK3ACVR1
SCHEMBL4792087 0.82 NEK1 (0.62) NEK1IKBKBCHUKRPS6KA3JAK3
SCHEMBL31107374 0.80 IKBKB (0.54) NEK1IKBKBCHUKRPS6KA3JAK3
SCHEMBL4873430 0.80 IKBKB (0.60) NEK1IKBKBCHUKRPS6KA3JAK3
SCHEMBL858492 0.79 TTBK1 (0.66) JAK3AURKBJAK2TTBK1TTBK2
SCHEMBL12605438 0.79 AKT2 (0.65) JAK3ROCK1TTBK1TTBK2PIK3CA
SCHEMBL30008747 0.78 NEK1 (0.64) NEK1CHUKACVR1FLT1KDR

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
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 US claimed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US 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

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 NEK1 224/4885IKBKB 436/4885CHUK 212/4885
US-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 NEK1 870/4885IKBKB 138/4885CHUK 31/4885

“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.