SCHEMBL5250431

SCHEMBL5250431

Nc1cc(-c2ccc(C=O)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
DYRK1A Q13627 3/20 0.54
PDPK1 O15530 1/20 0.45
AAK1 Q2M2I8 2/20 0.42
CIT O14578 1/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KMT2A Q03164 1/20 0.39
KHK P50053 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL30337203 0.84 DYRK1A (0.70) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL4402187 0.79 DYRK1A (0.63) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL30935767 0.79 DYRK1A (0.63) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL15649966 0.78 DYRK1A (0.63) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL3545540 0.78
SCHEMBL2743567 0.78 HSD17B10 (0.43) KIF11KDM4EERN1S1PR1DRD1
Hydrochloric Acid SCHEMBL10461111 0.77 DYRK1A (0.61) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL4411668 0.76 DYRK1A (0.60) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL29733143 0.76 DYRK1A (0.60) MKNK1MKNK2DYRK1APDPK1AAK1
SCHEMBL2563186 0.75 KMO (0.58) MKNK1MKNK2KIF11KDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503757-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-12-19 EP disclosed
EP-1503757-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-12-19 EP disclosed
US-7125888-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-24 US disclosed
EP-1503757-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-16 EP disclosed
US-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents MERCK SHARP & DOHME CORP. 2005-08-11 US disclosed
EP-1503757-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-02-09 EP disclosed
WO-2003092595-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC (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-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents IRAK4, MAP3K4, MAP3K1 MKNK1 155/4885MKNK2 275/4885DYRK1A 1305/4885

“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.