Sugi Predict

Sugi Predict / Compounds / SCHEMBL138533

SCHEMBL138533

SCHEMBL138533

Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.[Pd]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ ACHE P22303 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.37
▸ FTO Q9C0B1 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7811284 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL30058349 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL2502467 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29700602 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL199961 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29464227 1.00 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL290288 0.97 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL29357701 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL4480 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL3127305 0.97 TSHR (0.53) TSHRACHEALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025121899-A1 METHOD FOR PREPARATION OF 1-((3S,4R)-3-((2-((1-ETHYL-1H-PYRAZOL-4-YL)AMINO)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)-4-FLUOROPIPERIDIN-1-YL)PROP-2-EN-1-ONE, AND INTERMEDIATE COMPOUNDS THEREOF 주식회사 대웅제약 2025-06-12 — — WO claimed
WO-2025121900-A1 PHOSPHATE SALT OF 1-((3S,4R)-3-((2-((1-ETHYL-1H-PYRAZOL-4-YL)AMINO)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)-4-FLUOROPIPERIDIN-1-YL)PROP-2-EN-1-ONE, CRYSTALLINE FORM THEREOF, AND METHOD FOR PREPARATION THEREOF 주식회사 대웅제약 2025-06-12 — — WO claimed
WO-2025121903-A1 TARTRATE SALT OF 1-((3S,4R)-3-((2-((1-ETHYL-1H-PYRAZOL-4-YL)AMINO)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)OXY)-4-FLUOROPIPERIDIN-1-YL)PROP-2-EN-1-ONE, CRYSTALLINE FORM THEREOF, AND METHOD FOR PREPARING SAME 주식회사 대웅제약 2025-06-12 — — WO claimed
CN-117946077-A Substituted 6- (pyrimidin-4-yl) quinoline compounds as cyclin dependent kinase inhibitors 百济神州(北京)生物科技有限公司 2024-04-30 — — CN claimed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 — — CN claimed
CN-115677636-B Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2024-01-26 — — CN claimed
US-20230094404-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-30 — — US claimed
CN-115677636-A Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2023-02-03 — — CN claimed
EP-4112617-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES Daewoong Pharmaceutical Co., Ltd. (KR) 2023-01-04 — — EP claimed
CN-113620990-B Thiourea type nitrogen phosphine ligand and preparation method and application thereof 万华化学集团股份有限公司 2022-11-08 — — CN claimed
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics EVONIK DEGUSSA GMBH (DE) 2004-04-08 — — US claimed
US-6566571-B1 Reacting haloaromatics with boron compounds in the presence of a palladium complex DEGUSSA AG (DE) 2003-05-20 — — US claimed
JP-2002541232-A — — 2002-12-03 — — JP claimed
EP-0962434-B1 Process for the preparation of aromatic olefins using palladium catalysts containing phosphite ligands DEGUSSA (DE) 2002-11-27 — — EP claimed
EP-1171406-A1 METHOD OF PRODUCING BIARYLS Degussa AG (DE) 2002-01-16 — — EP claimed
US-6291383-B1 Process for preparing aromatic olefins in the presence of palladium catalysts comprising phosphite ligands AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-09-18 — — US claimed
WO-2000061531-A1 METHOD OF PRODUCING BIARYLS DEGUSSA AG (DE) 2000-10-19 — — WO claimed
EP-0962434-A1 Process for the preparation of aromatic olefins using palladium catalysts containing phosphite ligands Aventis Research & Technologies GmbH & Co. KG (DE) 1999-12-08 — — EP claimed
US-4277633-A REACTION OF CONJUGATED DIENE AND ALKEHYDE TO PRODUCE UNSATURATED ALCOHOL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-07-07 — — US claimed
US-4196135-A BIS(TRI/O/TOLYPHOSPHINE) PALLADIUM, CATALYST FOR OLIGOMERIZATION OF CONJUGATED DIENES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1980-04-01 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230094404-A1 METHOD FOR PREPARATION OF HETEROCYCLICAMINE DERIVATIVES HNMT, MAOB, PNMT TSHR 3052/4885ACHE 94/4885ALDH1A1 1472/4885
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics NAPEPLD, NAPA, APBA1 TSHR 2874/4885ACHE 1170/4885ALDH1A1 1238/4885

“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.