Sugi Predict

Sugi Predict / Compounds / SCHEMBL10125145

SCHEMBL10125145

SCHEMBL10125145

COc1cccc(-c2ccnc3[nH]ccc23)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.67
▸ AURKB Q96GD4 3/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ DYRK1B Q9Y463 2/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ RET P07949 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ LTK P29376 1/20 0.51
▸ GRK5 P34947 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAP2K2 P36507 1/20 0.51

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
SCHEMBL858602 0.88 BRD4 (0.62) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL4793514 0.87 BRD4 (0.58) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL10125070 0.85 BRD4 (0.66) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL1719183 0.80 BRD4 (1.00) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL10125079 0.80 BRD4 (0.59) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL10125111 0.78 BRD4 (0.60) BRD4CDK9
SCHEMBL2240671 0.78 AURKB (0.71) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL859080 0.77 AURKB (0.55) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL29424797 0.76 BRD4 (0.60) BRD4AURKBIGF1RDYRK1BIKBKB
SCHEMBL298491 0.76 BRD4 (0.60) BRD4AURKBIGF1RDYRK1BIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 — — EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — 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 (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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 BRD4 748/4885AURKB 478/4885IGF1R 3686/4885

“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.