SCHEMBL411586

SCHEMBL411586

Cn1c(B(O)O)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
MCL1 Q07820 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
SLC9A1 P19634 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
TERT O14746 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL29955182 1.00 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL6585311 0.88 DAO (0.41) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL16632907 0.88 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL17856938 0.80 DAO (0.50) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL29951155 0.77 MAPT (0.49) KMT2AMAPTMEN1
SCHEMBL3965642 0.77 MAPT (0.49) KMT2AMAPTMEN1
SCHEMBL2750570 0.77 DAO (0.36) DAOMCL1KMT2AMAPTALDH1A1
SCHEMBL1606273 0.76 KDM4E (0.39) DAOKMT2AMAPTALDH1A1KDM4E
SCHEMBL1605841 0.76 CDC7 (0.38) KMT2AMAPTKDM4E
SCHEMBL29953078 0.76 KDM4E (0.54) KMT2AMAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735757-A Microenvironment sensitive fluorescent organic small molecule compound and synthetic method and application thereof 陕西师范大学 2021-12-03 CN claimed
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed
CN-115433190-B Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2024-09-20 CN disclosed
US-20240158355-A1 BET SUBFAMILY INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE MEDICINE (US) 2024-05-16 US disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
CN-113735757-B Micro-environment sensitive fluorescent organic small molecular compound and synthetic method and application thereof 陕西师范大学 2024-03-15 CN disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
CN-111212834-B Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN disclosed
CN-111433205-B Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN disclosed
WO-2007002635-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
EP-1311487-A4 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS MOLECULAR PROBES INC (US) 2004-08-18 EP disclosed
US-20040147747-A1 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond MOLECULAR PROBES, INC. 2004-07-29 US disclosed
US-6716979-B2 INCLUDING COUMARINS, RHODAMINES, AND RHODOLS THAT INCORPORATE ADDITIONAL FUSED AROMATIC RINGS; ABSORB AT A LONGER WAVELENGTH THAN STRUCTURALLY SIMILAR DYES THAT DO NOT POSSESS THE FUSED AROMATIC RINGS; DYE CONJUGATES; REACTIVE DYES MOLECULAR PROBES, INC. 2004-04-06 US disclosed
EP-1311487-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS Molecular Probes Inc. (US) 2003-05-21 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-20020059684-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings MOLECULAR PROBES, INC. 2002-05-23 US disclosed
WO-2002012195-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS MOLECULAR PROBES, INC. (US) 2002-02-14 WO disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 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 (5 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-20240158355-A1 BET SUBFAMILY INHIBITORS AND METHODS USING SAME BRDT, BRD3, BRD2 DAO 4769/4885MCL1 2653/4885KMT2A 122/4885
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 DAO 4167/4885MCL1 755/4885KMT2A 637/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 DAO 4429/4885MCL1 786/4885KMT2A 1272/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ DAO 4546/4885MCL1 180/4885KMT2A 1076/4885
US-20040147747-A1 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond CYP3A4, CYP3A5, UGT1A4 DAO 1739/4885MCL1 3661/4885KMT2A 4092/4885

“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.