SCHEMBL2838571

SCHEMBL2838571

O=C1Nc2cccc(I)c2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.60
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
TDP2 O95551 1/20 0.46
TGM2 P21980 2/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 1/20 0.40
PTPN5 P54829 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN11 Q06124 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FER P16591 2/20 0.38
ACVR1 Q04771 2/20 0.38
LRRK2 Q5S007 2/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL30835279 1.00 CES1 (0.60) CES1MAOAMAOBTDP2TGM2
SCHEMBL7795435 0.87 TDP2 (0.53) CES1MAOAMAOBTDP2TGM2
SCHEMBL282066 0.75 CES1 (1.00) CES1MAOAMAOBTGM2NSD2
SCHEMBL281203 0.75 CES1 (0.60) CES1MAOAMAOBTGM2MEN1
SCHEMBL30716604 0.75 CES1 (1.00) CES1MAOAMAOBTGM2NSD2
SCHEMBL4242823 0.75 CES1 (0.60) CES1MAOAMAOBTGM2MEN1
SCHEMBL5975593 0.75 CES1 (0.60) CES1MAOAMAOBTGM2MEN1
SCHEMBL2136384 0.75 CES1 (0.60) CES1MAOAMAOBPOLBACVR1
SCHEMBL12200893 0.72 SMN1; SMN2 (0.59) CES1TDP2TGM2MEN1MAPT
SCHEMBL2512919 0.72 SMN1; SMN2 (0.59) CES1TDP2TGM2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912609-A Preparation method of natural alkaloid tryptanthrin and derivative thereof 江苏大学 2022-01-11 CN claimed
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN claimed
CN-102690226-A Multi-nitrogen substituted isatin derivative and synthetic method of multi-nitrogen substituted isatin derivative UNIV GUANGDONG TECHNOLOGY 2012-09-26 CN claimed
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2024-07-18 US disclosed
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN disclosed
CN-117836297-A (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer 国家化学成分收集和筛选中心 2024-04-05 CN disclosed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4313983-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2024-02-07 EP disclosed
CN-113912609-B Preparation method of natural alkaloid tryptanthrin and derivatives thereof 江苏大学 2024-01-05 CN disclosed
WO-1999015500-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-04-01 WO disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP 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 (3 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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 CES1 2910/4885MAOA 4634/4885MAOB 4438/4885
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ CES1 1832/4885MAOA 3843/4885MAOB 3802/4885
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER PTPN1, PTPN5, PTPRJ CES1 2046/4885MAOA 4401/4885MAOB 3694/4885

“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.