Sugi Predict

Sugi Predict / Compounds / SCHEMBL76551

SCHEMBL76551

SCHEMBL76551

CN1CCN(CCOc2ccc(N)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.69
▸ PTGS1 P23219 1/20 0.69
▸ PTGS2 P35354 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HRH3 Q9Y5N1 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ DRD3 P35462 1/20 0.51
▸ PSMB1 P20618 3/20 0.50
▸ PSMB5 P28074 3/20 0.50
▸ PSMB2 P49721 2/20 0.50

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
SCHEMBL18763495 0.92 LTA4H (0.60) LTA4HPTGS1PTGS2ALDH1A1USP2
SCHEMBL76269 0.92 RAB9A (0.66) LTA4HPTGS1PTGS2ALDH1A1USP2
SCHEMBL15542624 0.88 LTA4H (0.67) LTA4HPTGS1PTGS2ALDH1A1RAB9A
SCHEMBL14204014 0.88 LTA4H (0.67) LTA4HPTGS1PTGS2HRH3KDM4E
SCHEMBL56495 0.86 LTA4H (0.90) LTA4HPTGS1PTGS2HRH3KDM4E
SCHEMBL15651282 0.85 LTA4H (0.67) LTA4HPTGS1PTGS2ALDH1A1NPC1
SCHEMBL18763421 0.85 RAB9A (0.58) LTA4HPTGS1PTGS2ALDH1A1USP2
SCHEMBL10191921 0.84 LTA4H (0.65) LTA4HALDH1A1USP2HPGDNPC1
SCHEMBL23724061 0.84 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3PSMB1
Hydrochloric Acid SCHEMBL15254264 0.84 LTA4H (0.87) LTA4HPTGS1PTGS2HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120081825-A Compound and preparation method and medical application thereof 天津匠新致成科技有限公司 2025-06-03 — — CN disclosed
CN-120081789-A Pyrazole derivative with antitumor activity and preparation method and application thereof 天津匠新致成科技有限公司 2025-06-03 — — CN disclosed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 — — WO disclosed
CN-111566100-B Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技（上海）有限公司 2023-10-27 — — CN disclosed
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 — — WO disclosed
US-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2022-05-12 — — US disclosed
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2021-04-08 — — US disclosed
WO-2021017384-A1 DIHYDRO-PYRROLO-PYRIMIDINE SELECTIVE JAK2 INHIBITOR 上海勋和医药科技有限公司 2021-02-04 — — WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
CN-111566100-A Pyrimidine compound, preparation method and medical application thereof 恩瑞生物医药科技（上海）有限公司 2020-08-21 — — CN disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US disclosed
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 — — CN disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 — — EP disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 — — EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 — — WO disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 — — WO disclosed
EP-1003745-B1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2004-12-29 — — EP disclosed
US-6150359-A 1,6-NAPHTHYRIDIONE COMPOUNDS USEFUL FOR TREATING CANCER, RESTENOSIS AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-11-21 — — US disclosed
EP-1003745-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2000-05-31 — — EP disclosed
WO-1999009030-A1 NAPHTHYRIDINONES FOR INHIBITING PROTEIN TYROSINE KINASE AND CELL CYCLE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-02-25 — — 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 (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-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS JAK2, JAK1, JAK3 LTA4H 3498/4885PTGS1 776/4885PTGS2 611/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 LTA4H 4113/4885PTGS1 3017/4885PTGS2 1756/4885
US-20210101881-A1 PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF CDK9, CDK19, CDK6 LTA4H 2263/4885PTGS1 2077/4885PTGS2 2644/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885PTGS1 1996/4885PTGS2 1885/4885

“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.