SCHEMBL3277330

SCHEMBL3277330

c1ccc2nc(Oc3ncc4ccccc4n3)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GPR3 P46089 1/20 0.45
EGFR P00533 1/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 6/20 0.42
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HTT P42858 1/20 0.38
NCF1 P14598 1/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL8710825 0.88 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGLACYP1A2
SCHEMBL29386389 0.88 ALDH1A1 (0.50) KDM4EALDH1A1MAPTGLACYP1A2
SCHEMBL15346818 0.83 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL30824482 0.83 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL382006 0.83 KDM4E (0.46) KDM4EGPR3EGFRALDH1A1MAPT
Hydrochloric Acid SCHEMBL28102802 0.81 KDM4E (0.44) KDM4EGPR3EGFRALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28174209 0.81 KDM4E (0.44) KDM4EGPR3EGFRALDH1A1CYP1A2
SCHEMBL28624806 0.79 CYP1A2 (0.40) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL3634933 0.79 TLR8 (0.49) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL30952029 0.79 TLR8 (0.49) KDM4EGPR3EGFRALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
CN-119546588-A Pyridine checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2025-02-28 CN disclosed
CN-118488945-A Sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-13 CN disclosed
CN-118434417-A Cyclic sulfonamide ribonucleotide reductase (RNR) inhibitors and uses thereof 无界生物公司 2024-08-02 CN disclosed
CN-116507626-A Compositions and methods for modulating short-chain dehydrogenase activity 罗迪奥治疗公司 2023-07-28 CN disclosed
CN-110036008-A Compound, device and application thereof 西吉隆医疗股份有限公司 2019-07-19 CN disclosed
CN-104710385-B PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-11-09 CN disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 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 (1 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 KDM4E 4409/4885GPR3 405/4885EGFR 1431/4885

“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.