SCHEMBL9591

SCHEMBL9591

COc1ncc(B(O)O)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
CRHR1 P34998 1/20 0.37
PLAU P00749 2/20 0.36
CYP1A2 P05177 4/20 0.34
FTO Q9C0B1 1/20 0.34
METAP2 P50579 1/20 0.34
TSHR P16473 2/20 0.33
ACACB O00763 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 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
SCHEMBL17826393 0.83
SCHEMBL12375388 0.80 CYP1A2 (0.42) QPCTQPCTLCYP1A2FTOTSHR
SCHEMBL25589550 0.80 LMNA (0.34) TSHRENPP2MEN1KMT2A
SCHEMBL31177244 0.80 LMNA (0.34) TSHRENPP2MEN1KMT2A
SCHEMBL29956815 0.78 NUDT1 (0.43) CYP1A2METAP2KMT2A
SCHEMBL1960426 0.78 PLAU (0.32) QPCTQPCTLCRHR1PLAUCYP1A2
SCHEMBL31416622 0.78 CRHR1 (0.33) QPCTQPCTLCRHR1PLAUCYP1A2
SCHEMBL29953563 0.77 MEN1 (0.41) CYP1A2TSHRGAAMEN1ALDH1A1
SCHEMBL30970996 0.77 QPCT (0.42) QPCTQPCTLCRHR1PLAUCYP1A2
SCHEMBL25392565 0.76 KMT2A (0.37) QPCTQPCTLCRHR1PLAUCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122055371-A Faster automated iterative C-C bond formation 伊利诺伊大学评议会 2026-05-15 CN disclosed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
US-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-02-26 US disclosed
US-20260001884-A1 Heterocycle compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2026-01-01 US disclosed
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ADORX THERAPEUTICS LTD (GB) 2025-11-06 US disclosed
US-20250312345-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE UNIV YALE (US) 2025-10-09 US disclosed
US-20250270174-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2025-08-28 US disclosed
US-20250223278-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2025-07-10 US disclosed
CN-120192323-A Pyrrolidone-containing compounds 正大天晴药业集团股份有限公司 2025-06-24 CN disclosed
EP-4568965-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
WO-2003009689-A1 METHODS AND COMPOSITIONS FOR TREATING FUNGAL INFECTIONS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-02-06 WO disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO disclosed
WO-2002102800-A1 5-(2-AMINOPYRIMIDIN-4-YL) BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-12-27 WO disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO 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 (7 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-20260001884-A1 Heterocycle compounds for the treatment of cancer ADORA1, ADORA2A, ADORA3 QPCT 3907/4885QPCTL 4593/4885CRHR1 418/4885
US-20260055113-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, CLIC1 QPCT 1460/4885QPCTL 4259/4885CRHR1 242/4885
US-20250312345-A1 NON-COVALENT INHIBITORS OF THE MAIN PROTEASE OF SARS-COV-2 AND METHODS OF USE ACE2, ACE, TMPRSS2 QPCT 780/4885QPCTL 622/4885CRHR1 2419/4885
US-20250340565-A1 CD73 INHIBITOR COMPOUNDS ENTPD5, ENTPD1, NT5E QPCT 1893/4885QPCTL 4165/4885CRHR1 3688/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA QPCT 496/4885QPCTL 2048/4885CRHR1 4405/4885
US-20250223278-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A QPCT 2820/4885QPCTL 3880/4885CRHR1 1996/4885
US-20250270174-A1 CD73 COMPOUNDS ENTPD5, NT5E, ENTPD1 QPCT 2794/4885QPCTL 4186/4885CRHR1 2257/4885

“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.