SCHEMBL3085387

SCHEMBL3085387

Cc1cc(C=O)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
MAPT P10636 3/20 0.67
POLB P06746 2/20 0.67
RAB9A P51151 1/20 0.67
CYP1A2 P05177 1/20 0.60
BACE1 P56817 1/20 0.56
ALDH1A1 P00352 4/20 0.51
ERN1 O75460 1/20 0.49
GAA P10253 2/20 0.47
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACHE P22303 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6456809 0.83 KDM4E (0.65) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL3086829 0.83 KDM4E (0.65) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL12408803 0.81 KDM4E (0.73) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL7417644 0.81 KDM4E (0.45) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL4810314 0.80 KDM4E (1.00) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL7967307 0.80 KDM4E (0.61) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL14279421 0.80 KDM4E (1.00) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL4387472 0.79 MAOA (0.45) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL3529285 0.79 KMT2A (0.49) KDM4EL3MBTL1MAPTPOLBRAB9A
SCHEMBL31428642 0.79 MAOA (0.45) KDM4EL3MBTL1MAPTPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1773330-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-05-26 EP disclosed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885L3MBTL1 3949/4885MAPT 517/4885

“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.