Sugi Predict

Sugi Predict / Compounds / SCHEMBL701311

SCHEMBL701311

SCHEMBL701311

CC1(C)OB(c2cccc(OCCN3CCOCC3)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL30142450 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL21636709 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL24364468 0.90 KDM4E (0.55) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL171775 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRSMN1; SMN2NPC1
SCHEMBL8443537 0.84 KDM4E (0.57) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL27248498 0.82 HRH3 (0.43) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL3574469 0.82 NPC1 (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL18124821 0.82 LIPG (0.50) —
SCHEMBL1642406 0.80 NPC1 (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1MEN1
SCHEMBL31068420 0.80 POLB (0.51) ALDH1A1KDM4EHTTTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 — — EP disclosed
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 — — US disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 — — WO disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
US-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 — — EP disclosed
CN-115551868-A Macrocyclic compounds and uses thereof 特修斯制药公司 2022-12-30 — — CN disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 — — WO disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 — — WO disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 — — US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 — — US disclosed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 — — 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 (6 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2665/4885KDM4E 2113/4885HTT 4270/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 ALDH1A1 3146/4885KDM4E 480/4885HTT 4734/4885
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 ALDH1A1 2826/4885KDM4E 663/4885HTT 2419/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 ALDH1A1 3118/4885KDM4E 887/4885HTT 3214/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ALDH1A1 1676/4885KDM4E 129/4885HTT 4613/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 ALDH1A1 2031/4885KDM4E 875/4885HTT 4481/4885

“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.