SCHEMBL3521853

SCHEMBL3521853

COc1ncncc1C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.41
EGFR P00533 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP17A1 P05093 1/20 0.35
PRKDC P78527 1/20 0.33
TRIM24 O15164 1/20 0.32
TYR P14679 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PDPK1 O15530 1/20 0.32
LMNA P02545 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
SCHEMBL29559729 1.00 ERN1 (0.41) ERN1EGFRALDH1A1KDM4ETSHR
SCHEMBL25398720 0.82 EGFR (0.38) EGFRALDH1A1TDP1CYP17A1PDPK1
SCHEMBL29071990 0.80 EGFR (0.37) EGFRCYP17A1PDPK1
SCHEMBL32677379 0.80 EGFR (0.37) EGFRCYP17A1PDPK1
SCHEMBL1475089 0.79 MAP3K7 (0.36) ERN1
SCHEMBL31521747 0.74 CYP17A1 (0.39) ERN1EGFRALDH1A1TSHRTDP1
SCHEMBL30753544 0.74 POLB (0.35)
SCHEMBL27081736 0.74 POLB (0.35)
SCHEMBL20345724 0.73 CYP17A1 (0.37) ERN1EGFRALDH1A1TDP1CYP17A1
SCHEMBL6338655 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-05-05 US disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
EP-4313994-B1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-03-05 EP disclosed
US-20240199635-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-20 US disclosed
EP-4034257-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-05-22 EP disclosed
US-11952344-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-09 US disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-27 US disclosed
WO-2021059017-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 WO disclosed
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
EP-0408034-B1 3-Substituted vinyl cephalosporin derivatives EISAI CO LTD (JP) 1996-05-01 EP disclosed
US-5151417-A Antibiotics and bactericides EISAI CO., LTD. (JP) 1992-09-29 US disclosed
CN-1048706-A 3-substituted vinyl cephalosporin derivatives and preparation method thereof EISAI CO LTD (JP) 1991-01-23 CN disclosed
EP-0408034-A1 3-Substituted vinyl cephalosporin derivatives Eisai Co., Ltd. (JP) 1991-01-16 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 (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-12617801-B2 Tetrahydrothieno pyridine derivatives as DDRS inhibitors DDR1, DDR2, DDRGK1 ERN1 1465/4885EGFR 44/4885ALDH1A1 3606/4885
US-20220340527-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2A, GRIN2B ERN1 2012/4885EGFR 4036/4885ALDH1A1 3523/4885
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 ERN1 3878/4885EGFR 4085/4885ALDH1A1 4629/4885
US-20240199635-A1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 ERN1 1537/4885EGFR 223/4885ALDH1A1 3941/4885
US-11952344-B2 Heterocyclic compound and use thereof GRIN1, GRIN2A, GRIN2B ERN1 2012/4885EGFR 4036/4885ALDH1A1 3523/4885

“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.