Sugi Predict

Sugi Predict / Compounds / SCHEMBL2265788

SCHEMBL2265788

SCHEMBL2265788

S=C=Nc1ccc2c(c1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.62
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ P2RY6 Q15077 2/20 0.41
▸ MIF P14174 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PRCP P42785 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ USP2 O75604 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LTA P01374 2/20 0.37

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
SCHEMBL672098 0.80 ADRA2A (0.47) PNMTADRA2AADRA2BADRA2CCYP3A4
SCHEMBL30632049 0.80 ADRA2A (0.47) PNMTADRA2AADRA2BADRA2CCYP3A4
SCHEMBL14404571 0.72 ADRA2A (0.52) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL13063374 0.72 ADRA2A (0.52) ADRA2AADRA2BADRA2CMEN1TP53
SCHEMBL3699310 0.72 PNMT (0.49) PNMTP2RY6MIFCYP3A4TDP1
SCHEMBL13559607 0.72 PNMT (0.61) PNMTP2RY6MIFCYP3A4TDP1
SCHEMBL7121783 0.71 CASP1 (0.49) PNMTP2RY6CYP1A2HSD17B10RAD1
SCHEMBL5412264 0.71 CYP1A2 (0.49) PNMTADRA2AMIFCYP3A4CYP1A2
SCHEMBL27382765 0.71 PNMT (0.47) PNMTADRA2AADRA2BADRA2CP2RY6
SCHEMBL5793969 0.70 FFAR4 (0.37) PNMTADRA2AADRA2CMIFCYP3A4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 — — EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 — — WO disclosed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 — — US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 — — US disclosed
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 — — US disclosed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 — — US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 — — US disclosed
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 — — EP disclosed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 — — WO disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2002028845-A1 3-THIOXO-[1,2,4]-OXADIAZINAN-5-ONE AND THEIR USE AS ANTI-ANTHEROSCLEROTIC AGENTS WYETH (US) 2002-04-11 — — WO disclosed
CN-1330654-A 4,5-pyrrolo-oxindoles HOFFMANN LA ROCHE (DE) 2002-01-09 — — CN disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 — — US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 — — US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO disclosed
US-5861517-A INCREASING BLOOD SERUM HIGH DENSITY LIPOPROTEINS LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-01-19 — — US disclosed
EP-0876355-A1 2-THIOXO-IMIDAZOLIDIN-4-ONE DERIVATIVES AND THEIR USE FOR INCREASING HDL CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-11 — — EP disclosed
WO-1997019932-A1 2-THIOXO-IMIDAZOLIDIN-4-ONE DERIVATIVES AND THEIR USE FOR INCREASING HDL CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-05 — — WO disclosed
US-5554607-A INCREASING HDL CHOLESTEROL AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-10 — — 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 (4 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-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PNMT 4491/4885ADRA2A 4037/4885ADRA2B 3927/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PNMT 4491/4885ADRA2A 4037/4885ADRA2B 3927/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 PNMT 4491/4885ADRA2A 4037/4885ADRA2B 3927/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 PNMT 847/4885ADRA2A 232/4885ADRA2B 178/4885

“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.