SCHEMBL4873430

SCHEMBL4873430

O=C(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.60
CHUK O15111 4/20 0.60
TAF1 P21675 2/20 0.56
NEK1 Q96PY6 2/20 0.55
RIPK1 Q13546 2/20 0.53
LRRK2 Q5S007 2/20 0.52
BRD9 Q9H8M2 2/20 0.50
TRIM24 O15164 1/20 0.50
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
SMARCA4 P51532 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50
PBRM1 Q86U86 1/20 0.50
TAF1L Q8IZX4 1/20 0.50
CECR2 Q9BXF3 1/20 0.50
BRD7 Q9NPI1 1/20 0.50
BRWD1 Q9NSI6 1/20 0.50
AURKB Q96GD4 3/20 0.49
AURKA O14965 1/20 0.49

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
SCHEMBL857035 0.89 IKBKB (0.64) IKBKBCHUKNEK1RIPK1LRRK2
SCHEMBL857458 0.88 IKBKB (0.63) IKBKBCHUKNEK1RIPK1LRRK2
SCHEMBL1718801 0.88 PRKCI (0.63) IKBKBCHUKTAF1NEK1RIPK1
SCHEMBL30009173 0.86 JAK1 (0.61) IKBKBCHUKNEK1LRRK2AURKB
SCHEMBL30009546 0.84 JAK1 (0.65) TAF1LRRK2AURKBJAK2MAP4K4
SCHEMBL16625847 0.84 MKNK1 (0.61) TAF1LRRK2PRKCIPIK3CACYP3A4
SCHEMBL30009468 0.83 JAK1 (0.63) IKBKBCHUKNEK1AURKBAURKA
SCHEMBL21954784 0.81 TAF1 (0.54) TAF1RIPK1LRRK2BRD9TRIM24
SCHEMBL4830288 0.80 NEK1 (0.58) IKBKBCHUKNEK1LRRK2AURKB
SCHEMBL12605425 0.80 SMN1; SMN2 (0.52) LRRK2AURKBAURKAJAK2MAP4K4

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 6 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
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

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-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 IKBKB 138/4885CHUK 31/4885TAF1 2328/4885

“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.