SCHEMBL10164779

SCHEMBL10164779

COC(=O)c1ncnc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
MKNK1 Q9BUB5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CREBBP Q92793 1/20 0.37
BRAF P15056 1/20 0.37
TNNI3K Q59H18 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
CD38 P28907 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK8 P49336 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
EGFR P00533 2/20 0.35

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
SCHEMBL14074733 0.80 DYRK1A (0.52) DYRK1AMKNK1KDM4EALDH1A1IRAK4
SCHEMBL29494927 0.78 DYRK1A (0.50) DYRK1AMKNK1IRAK4JAK3
SCHEMBL20207317 0.77 DYRK1A (0.46) DYRK1AALDH1A1L3MBTL1CD38JAK3
SCHEMBL31456991 0.75 MKNK1 (0.57) MKNK1KDM4ECREBBPBRAFHIF1A
SCHEMBL29407645 0.75 JAK3 (0.55) DYRK1ATTBK1TTBK2PIM1MAP2K1
SCHEMBL14087078 0.75 DYRK1A (0.47) DYRK1AMKNK1IRAK4BRAFTNNI3K
SCHEMBL12590741 0.75 JAK3 (0.55) DYRK1ATTBK1TTBK2PIM1MAP2K1
SCHEMBL27376395 0.75 MKNK1 (0.57) MKNK1KDM4ECREBBPBRAFHIF1A
SCHEMBL30668122 0.75 CD38 (0.41) KDM4EALDH1A1NPSR1L3MBTL1STAT3
SCHEMBL3273216 0.74 GRM5 (0.55) KDM4EALDH1A1NPSR1L3MBTL1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (6 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 DYRK1A 3718/4885MKNK1 2780/4885KDM4E 2058/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 DYRK1A 3460/4885MKNK1 2919/4885KDM4E 2256/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 DYRK1A 3718/4885MKNK1 2780/4885KDM4E 2058/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DYRK1A 3718/4885MKNK1 2780/4885KDM4E 2058/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 DYRK1A 3718/4885MKNK1 2780/4885KDM4E 2058/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 DYRK1A 3485/4885MKNK1 2802/4885KDM4E 2290/4885

“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.