Sugi Predict

Sugi Predict / Compounds / SCHEMBL5536743

SCHEMBL5536743

SCHEMBL5536743

c1ccc(-c2cccc(-c3cnc4[nH]nc(-c5ccc[nH]5)c4c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.46
▸ GSK3A P49840 6/20 0.46
▸ AXL P30530 7/20 0.45
▸ CDK8 P49336 2/20 0.45
▸ TNIK Q9UKE5 1/20 0.45
▸ NTRK1 P04629 2/20 0.41
▸ SGK1 O00141 1/20 0.40
▸ PLK4 O00444 2/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ FER P16591 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ MARK3 P27448 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ SYK P43405 2/20 0.39

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
SCHEMBL5537040 0.96 GSK3B (0.49) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5534996 0.95 GSK3B (0.48) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5539202 0.90 KIT (0.46) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5537386 0.87 AXL (0.45) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5533779 0.85 DYRK1B (0.43) NTRK1CDC7FGFR1MAPK1JAK3
SCHEMBL5539669 0.85 MAP4K1 (0.41) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5533821 0.83 IDO1 (0.44) DYRK1A
SCHEMBL5542634 0.82 PRMT5 (0.45) GSK3BNTRK1CDC7MAPK1DYRK1A
SCHEMBL29930893 0.82 GSK3B (0.58) GSK3BGSK3AAXLCDK8TNIK
SCHEMBL5536712 0.81 KIT (0.46) CDK2LCKMAPK1DYRK1AMAP3K11

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-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
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 GSK3B 597/4885GSK3A 682/4885AXL 932/4885

“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.