SCHEMBL698809

SCHEMBL698809

Nc1ccc(C2OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC18A3 Q16572 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL8935137 0.98 MEN1 (0.38) MEN1KMT2AMAPTCCNB2CDK1
SCHEMBL6236362 0.91 MEN1 (0.36) MEN1KMT2AMAPTCCNB2CDK1
SCHEMBL9451016 0.87 MEN1 (0.44) MEN1KMT2AMAPTCCNB2CDK1
SCHEMBL9912110 0.85 ALDH1A1 (0.44) MEN1KMT2AMAPTCCNB2CDK1
SCHEMBL10932117 0.79 MEN1 (0.63) MEN1KMT2AMAPTCYP2C19CYP19A1
SCHEMBL9636744 0.76 SMN1; SMN2 (0.54) MEN1KMT2AMAPTCYP2C19CYP19A1
SCHEMBL8804519 0.76 TAAR1 (0.43) KMT2ACYP2C19ALDH1A1TDP1KDM4E
SCHEMBL9451018 0.76 MEN1 (0.41) MEN1KMT2AMAPTCCNB2CDK1
SCHEMBL19265379 0.75 CCNB2 (0.31) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL6809631 0.75 MAPK1 (0.50) MEN1KMT2ACCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976216-B Preparation method of prucalopride 江苏工程职业技术学院 2021-02-12 CN claimed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
CN-114746434-B Antibiotic compounds 莱顿大学 2025-02-21 CN disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4034547-B9 ANTIBIOTIC COMPOUNDS UNIV LEIDEN (NL) 2024-09-04 EP disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
EP-4034547-B1 ANTIBIOTIC COMPOUNDS UNIV LEIDEN (NL) 2024-05-22 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
CN-115521233-B ROR gamma agonist and application thereof in preparing medicament for treating tumor diseases and promoting Type17 cell differentiation 复旦大学 2024-02-09 CN disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 US disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
US-6667342-B1 Elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2003-12-23 US disclosed
EP-1064274-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-1999047508-A1 BENZENESULFONAMIDE-DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 1999-09-23 WO disclosed
US-4977272-A Radiation absorbers THE STANDARD OIL COMPANY (US) 1990-12-11 US disclosed
US-4868061-A ADDITION POLYMERS, ULTRAVIOLET RADIATION STABILIZERS THE STANDARD OIL COMPANY (US) 1989-09-19 US disclosed
US-4740611-A N,N'-disubstituted ureas THE STANDARD OIL COMPANY (US) 1988-04-26 US disclosed
US-4705864-A Aryl oxime derivatives of hydantoins THE STANDARD OIL COMPANY (US) 1987-11-10 US disclosed
US-4309553-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1982-01-05 US disclosed
US-4273785-A ANTILIPEMIC AGENTS, ANTIATHEROSCEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-06-16 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 (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-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 MEN1 3037/4885KMT2A 2056/4885MAPT 4351/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 MEN1 3627/4885KMT2A 512/4885MAPT 4719/4885

“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.