SCHEMBL6182362

SCHEMBL6182362

CCOC(=O)c1ccc(F)cc1N=CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6182359 1.00 TSHR (0.46) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL6381850 0.77 ALDH1A1 (0.44) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL6381852 0.77 ALDH1A1 (0.44) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL4628672 0.75 TSHR (0.60) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL5247862 0.74 TSHR (0.57) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL367075 0.74 TSHR (0.57) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL13560529 0.73 ALDH1A1 (0.49) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL3736658 0.73 ALDH1A1 (0.49) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL10083800 0.73 TSHR (0.57) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL6382674 0.73 ALDH1A1 (0.41) TSHRALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP disclosed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US disclosed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 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-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 TSHR 4306/4885ALDH1A1 2970/4885KDM4E 1029/4885

“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.