SCHEMBL15079202

SCHEMBL15079202

CCOC(=O)[C@@H]1CCc2nc(O)cc(=O)n21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TSHR P16473 3/20 0.38
RECQL P46063 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 2/20 0.34
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19595725 1.00 GAA (0.38) GAATSHRRECQLMAPK1ALDH1A1
SCHEMBL16754160 0.87 TSHR (0.38) GAATSHRRECQLMAPK1ALDH1A1
SCHEMBL19505963 0.81 ALDH1A1 (0.34) GAATSHRRECQLMAPK1ALDH1A1
SCHEMBL19470172 0.79 ACE (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL16753436 0.77 F11 (0.37) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16753519 0.76 ALDH1A1 (0.41) GAATSHRRECQLMAPK1ALDH1A1
SCHEMBL15059930 0.76 ALDH1A1 (0.41) GAATSHRRECQLMAPK1ALDH1A1
SCHEMBL15079219 0.76 ALDH1A1 (0.42) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL15079196 0.76 F11 (0.46) TSHRRECQLMAPK1ALDH1A1MEN1
SCHEMBL16753895 0.76 F11 (0.46) TSHRRECQLMAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 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 (3 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-20150152112-A1 COMPOUNDS F11, F12, F10 GAA 647/4885TSHR 2993/4885RECQL 2371/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 GAA 647/4885TSHR 2993/4885RECQL 2371/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 GAA 1627/4885TSHR 3415/4885RECQL 2943/4885

“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.