Sugi Predict

Sugi Predict / Compounds / SCHEMBL1066770

SCHEMBL1066770

SCHEMBL1066770

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ FAAH O00519 1/20 0.55
▸ TSHR P16473 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GPR119 Q8TDV5 3/20 0.54
▸ USP2 O75604 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP2D6 P10635 2/20 0.52
▸ VEGFA P15692 1/20 0.52
▸ EGLN1 Q9GZT9 1/20 0.52
▸ FNTA P49354 2/20 0.49
▸ FNTB P49356 2/20 0.49
▸ PGGT1B P53609 2/20 0.49

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
SCHEMBL16627269 0.95 CYP3A4 (0.56) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL20577088 0.87 VEGFA (0.52) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL29809169 0.85 FAAH (0.59) FAAHGPR119HRH1NSD2
SCHEMBL8540941 0.85 FAAH (0.59) FAAHGPR119HRH1NSD2
SCHEMBL22800928 0.85 VEGFA (0.50) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL7451729 0.85 GPR119 (0.54) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL16616368 0.84 GPR119 (0.50) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4938599 0.84 VEGFA (0.56) ALDH1A1MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL18608789 0.84 MEN1 (0.58) MEN1KMT2ASMN1; SMN2VEGFAEGLN1
SCHEMBL4156092 0.84 VEGFA (0.58) MEN1KMT2ASMN1; SMN2VEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 — — EP disclosed
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 — — US disclosed
US-12258341-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2025-03-25 — — US disclosed
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 — — US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 — — US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 — — US disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 — — US disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 — — US disclosed
US-11724999-B2 Inhibitors of RAS-effector protein interactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-08-15 — — US disclosed
WO-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 — — WO disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 — — EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 — — WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 — — EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 — — 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 (7 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 CYP3A4 2501/4885CYP2C19 3241/4885ALDH1A1 1976/4885
US-12258341-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885CYP2C19 3990/4885ALDH1A1 2776/4885
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885CYP2C19 3990/4885ALDH1A1 2776/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CYP3A4 4739/4885CYP2C19 4798/4885ALDH1A1 796/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885CYP2C19 3990/4885ALDH1A1 2776/4885
US-11724999-B2 Inhibitors of RAS-effector protein interactions KRAS, NRAS, HRAS CYP3A4 3694/4885CYP2C19 4244/4885ALDH1A1 3962/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885CYP2C19 3990/4885ALDH1A1 2776/4885

“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.