SCHEMBL15058017

SCHEMBL15058017

COC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.67
PRSS1 P07477 1/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
TMPRSS6 Q8IU80 1/20 0.67
ST14 Q9Y5Y6 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.58
PLAU P00749 4/20 0.54
F10 P00742 3/20 0.54
PLAT P00750 3/20 0.54
KLK1 P06870 2/20 0.54
KLK5 Q9Y337 2/20 0.54
PLG P00747 2/20 0.51
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL21555763 0.85 SMN1; SMN2 (0.65) SMN1; SMN2HPGDMAPT
SCHEMBL13855058 0.82 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL9609808 0.82 SMN1; SMN2 (0.82) SMN1; SMN2HPGDMAPT
SCHEMBL7903320 0.81 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL11658715 0.80 SMN1; SMN2 (0.67) SMN1; SMN2HPGDMAPT
SCHEMBL4553738 0.80 F2 (0.77) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL29246859 0.79 F2 (0.69) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL2094519 0.79 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMAPT
SCHEMBL3001175 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMAPT
SCHEMBL8886838 0.79 MEN1 (0.69) SMN1; SMN2MAPT

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-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 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-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP 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 (4 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 F2 5/4885PRSS1 254/4885PRSS2 698/4885
US-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI F2 2/4885PRSS1 74/4885PRSS2 131/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 F2 5/4885PRSS1 254/4885PRSS2 698/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 F2 6/4885PRSS1 72/4885PRSS2 690/4885

“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.