SCHEMBL3247710

SCHEMBL3247710

CCc1ccccc1Nc1nc(Cl)c(C)n(CC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
TPSAB1 Q15661 6/20 0.42
TP53 P04637 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
PLAU P00749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 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
SCHEMBL7456341 0.95 TPSAB1 (0.48) P2RX7F2PRSS1MEN1KMT2A
SCHEMBL3242831 0.86 F2 (0.44) P2RX7F2PRSS1POLBTPSAB1
SCHEMBL7140320 0.84 F2 (0.47) F2PRSS1MEN1KMT2ATPSAB1
SCHEMBL3247707 0.81 F2 (0.60) F2PRSS1TPSAB1F7F3
SCHEMBL3240576 0.81 MEN1 (0.44) MEN1KMT2ATP53LMNACYP1A2
SCHEMBL3266642 0.79 F2 (0.53) F2PRSS1TPSAB1F7F3
SCHEMBL5885589 0.78 F2 (0.59) F2PRSS1TPSAB1F7F3
SCHEMBL7912621 0.77 TPSAB1 (0.61) F2PRSS1KMT2ATPSAB1F7
SCHEMBL8205180 0.77 TPSAB1 (0.52) F2PRSS1TPSAB1F7F3
SCHEMBL7020342 0.77 F2 (0.40) F2PRSS1MEN1KMT2ATPSAB1

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
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP disclosed
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP disclosed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US disclosed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 US disclosed
EP-0969840-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-02-28 EP disclosed
EP-0969840-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-12 EP disclosed
US-5932606-A Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 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-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 P2RX7 935/4885F2 23/4885PRSS1 10/4885

“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.