SCHEMBL581041

SCHEMBL581041

CC(C)(C)[Si](C)(C)OCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
MGMT P16455 1/20 0.34
ABCB1 P08183 1/20 0.33
BACE1 P56817 1/20 0.33
DUT P33316 2/20 0.33
CYP19A1 P11511 1/20 0.33
KIF11 P52732 1/20 0.32

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
SCHEMBL1315036 0.82 IDO1 (0.46) ALDH1A1CYP2D6BACE1
SCHEMBL2027168 0.81 LOXL2 (0.41) LOXL2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12855670 0.80 AGXT (0.52) CYP1A2RAB9A
SCHEMBL15489965 0.80 TDP1 (0.37) ALDH1A1RAB9ABACE1DUT
SCHEMBL906834 0.80 IDO1 (0.48) CYP3A4HSD17B10BACE1
SCHEMBL3426875 0.78 AGXT (0.32) CYP3A4BACE1DUT
SCHEMBL3178345 0.78 PPARG (0.40) ALDH1A1BACE1DUT
SCHEMBL133816 0.78 MAOB (0.39) LOXL2CYP3A4ALDH1A1RAB9ACYP19A1
SCHEMBL7262934 0.78 AGXT (0.32) BACE1DUT
SCHEMBL481257 0.78 IDO1 (0.50) ALDH1A1RAB9ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727940-A1 DIHYDROPYRIMIDINE-2, 4 (1H, 3H) -DIONE-CONTAINING POLYCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREOF AND USE THEREOF Linkcure Therapeutics (KY) 2026-04-22 EP disclosed
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
WO-2024255810-A1 DIHYDROPYRIMIDINE-2, 4 (1H, 3H) -DIONE-CONTAINING POLYCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREOF AND USE THEREOF HANGZHOU GLUBIO PHARMACEUTICAL CO., LTD (CN) 2024-12-19 WO disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US disclosed
WO-2024051631-A1 MACROCYCLIC IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州朗睿生物医药有限公司 2024-03-14 WO disclosed
CN-117659043-A Macrocyclic imidazo [1,2-b ] pyridazine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-03-08 CN disclosed
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2024-02-13 US disclosed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof FORESEE PHARMACEUTICALS USA, INC. (US) 2023-08-29 US disclosed
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 WO disclosed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed
WO-1997005877-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
EP-0275820-A2 Unsaturated phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1988-07-27 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-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 LOXL2 218/4885CYP1A2 1046/4885CYP3A4 1727/4885
US-11739080-B2 Matrix metalloproteinase (MMP) inhibitors and methods of use thereof MMP12, MMP1, MMP11 LOXL2 218/4885CYP1A2 1046/4885CYP3A4 1727/4885
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor TK2, TYMP, DPYD LOXL2 1713/4885CYP1A2 268/4885CYP3A4 339/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 LOXL2 1421/4885CYP1A2 133/4885CYP3A4 52/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 LOXL2 1421/4885CYP1A2 133/4885CYP3A4 52/4885

“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.