SCHEMBL5533779

SCHEMBL5533779

c1ccc(COc2cccc(-c3cnc4[nH]nc(-c5ccc[nH]5)c4c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.43
TTK P33981 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
AKT1 P31749 2/20 0.41
CDC7 O00311 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
DHODH Q02127 1/20 0.40
NTRK1 P04629 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
DYRK1A Q13627 1/20 0.39
FGFR1 P11362 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
BCHE P06276 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL5542634 0.91 PRMT5 (0.45) DYRK1BTTKAKT1CDC7DHODH
SCHEMBL5536743 0.85 GSK3B (0.46) AKT1CDC7NTRK1DYRK1AFGFR1
SCHEMBL5537040 0.84 GSK3B (0.49)
SCHEMBL5534211 0.83 IDO1 (0.45) AKT1DHODH
SCHEMBL5534996 0.83 GSK3B (0.48) DYRK1BDYRK1A
SCHEMBL5539669 0.81 MAP4K1 (0.41) AKT1
SCHEMBL759859 0.80 AKT1 (0.62) TTKAKT1CDC7NTRK1DYRK1A
SCHEMBL5537386 0.79 AXL (0.45) NTRK1
SCHEMBL5539202 0.77 KIT (0.46) AKT1JAK2
SCHEMBL5539363 0.77 CAMKK2 (0.50) AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US claimed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US claimed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
US-7186716-B2 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. (US) 2007-03-06 US disclosed
EP-1545515-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS Sugen, Inc. (US) 2005-06-29 EP disclosed
US-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors SUGEN, INC. 2004-05-13 US disclosed
WO-2004014368-A1 3-PYRROLYL-PYRIDOPYRAZOLES AND 3-PYRROLYL-INDAZOLES AS NOVEL KINASE INHIBITORS SUGEN, INC. (US) 2004-02-19 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-20040092546-A1 3-Pyrrol-pyridopyrazoles and 3-pyrrolyl-indazoles as novel kinase inhibitors MAP3K19, MAP3K1, MAP3K7 DYRK1B 497/4885TTK 269/4885PIK3CD 308/4885

“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.