SCHEMBL751631

SCHEMBL751631

CC(C)Oc1nccc(-c2cn(Cc3ccccc3C#N)c(=O)n2-c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
MAPK14 Q16539 4/20 0.35
TSHR P16473 1/20 0.35
GALR3 O60755 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
USP7 Q93009 1/20 0.34
P2RX3 P56373 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
GNRHR P30968 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL750140 0.84 MAPT (0.35) TACR1MAPK14GALR3ALDH1A1RAB9A
SCHEMBL750351 0.82 USP7 (0.34) TACR1MAPK14TSHRGALR3ALDH1A1
SCHEMBL12714509 0.81 TP53 (0.33) TACR1TSHRGALR3ALDH1A1RAB9A
SCHEMBL752271 0.80 DYRK1B (0.40) MAPK14TSHRGALR3ALDH1A1RAB9A
SCHEMBL752508 0.76 RIPK3 (0.46) TACR1MAPK14ALDH1A1USP7GRIN1
SCHEMBL751894 0.76 USP7 (0.38) TACR1MAPK14ALDH1A1USP7GRIN1
SCHEMBL10273094 0.75 MAPT (0.33) TACR1TSHRGALR3ALDH1A1RAB9A
SCHEMBL749861 0.75 TSHR (0.37) TACR1TSHRGALR3ALDH1A1RAB9A
SCHEMBL753472 0.75 RIPK3 (0.39) TACR1MAPK14TSHRUSP7GRIN1
SCHEMBL752215 0.74 MAPK14 (0.47) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
EP-1628968-A4 4-IMIDAZOLIN-2-ONE COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-03-05 EP disclosed
EP-1628968-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-03-01 EP disclosed
WO-2004094404-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-11-04 WO disclosed
US-20040204426-A1 4-Imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-10-14 US disclosed
EP-1439174-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2004-07-21 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 (2 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-20040204426-A1 4-Imidazolin-2-one compounds NR3C1, NR3C2, SCN1B TACR1 2069/4885MAPK14 1321/4885TSHR 1413/4885
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS OR10J3, NR4A3, NR3C2 TACR1 1093/4885MAPK14 2186/4885TSHR 434/4885

“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.