SCHEMBL8994058

SCHEMBL8994058

CC(C)c1ncc(O)cn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
DEGS1 O15121 1/20 0.33
USP7 Q93009 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL27936532 0.81 APLNR (0.43) APLNRESR1ESR2USP7
SCHEMBL17044891 0.81 APLNR (0.43) APLNRESR1ESR2USP7
SCHEMBL12276078 0.81 APLNR (0.43) APLNRESR1ESR2USP7
SCHEMBL11069038 0.75 ESR1 (0.40) APLNRESR1ESR2
SCHEMBL2757603 0.74 APLNR (0.36) APLNR
SCHEMBL10105660 0.74 APLNR (0.58) APLNR
SCHEMBL27342375 0.74 APLNR (0.41) APLNR
SCHEMBL25317850 0.74 APLNR (0.42) APLNRESR1ESR2
SCHEMBL2063215 0.72 APLNR (0.34) APLNR
SCHEMBL2625465 0.72 PTGS1 (0.36) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
EP-3967682-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-16 EP disclosed
WO-2022048605-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATIONS 南昌奥瑞药业有限公司 2022-03-10 WO disclosed
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
WO-2018112077-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS (US) 2018-06-21 WO disclosed
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN disclosed
US-4686290-A Preparation of pyrimidyl phosphoric acid derivatives and intermediates BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0222210-A2 Process for preparing phosphoric-acid derivatives and intermediates BAYER AG (DE) 1987-05-20 EP disclosed
US-4665175-A FROM 4-CHLORO-5-BENZYLOXYPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
US-4654329-A Insecticidal, miticidal or nematocidal phosphorus esters of 5-pyrimidinols THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
EP-0167893-A1 Process for preparing phosphoric-acid derivatives and intermediate compounds BAYER AG (DE) 1986-01-15 EP disclosed
EP-0167888-A1 Process for preparing phosphoric-acid derivatives and intermediate compounds BAYER AG (DE) 1986-01-15 EP disclosed
EP-0128350-A2 Pyrimidylphosphoric-acid derivatives and their use as pesticides BAYER AG (DE) 1984-12-19 EP disclosed
US-4486422-A SYSTEMIC THE DOW CHEMICAL COMPANY (US) 1984-12-04 US disclosed
US-4429125-A INSECTICIDES FOR APPLICATION TO SOILS THE DOW CHEMICAL CO. (US) 1984-01-31 US disclosed
US-4127652-A ARTHROPODICIDE, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-11-28 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 (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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP APLNR 1270/4885ESR1 4699/4885ESR2 3523/4885
US-10023562-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators IRAK4, IRAK3, IRAK2 APLNR 3247/4885ESR1 1687/4885ESR2 2756/4885
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 APLNR 3487/4885ESR1 1890/4885ESR2 1222/4885

“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.