Sugi Predict

Sugi Predict / Compounds / SCHEMBL5885748

SCHEMBL5885748

SCHEMBL5885748

Cc1cnc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)NC1CCN(C(=N)N)OC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.40
▸ PRSS1 P07477 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ F10 P00742 3/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ CHRNA7 P36544 1/20 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
SCHEMBL5885638 0.84 F2 (0.55) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885945 0.84 F2 (0.59) F2PRSS1PRSS2PRSS3
SCHEMBL5885510 0.82 F2 (0.46) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885996 0.82 F2 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL5885714 0.82 F2 (0.54) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885949 0.82 F2 (0.55) F2PRSS1
SCHEMBL5885724 0.82 F2 (0.56) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885750 0.81 F2 (0.46) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885063 0.80 F2 (0.49) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885176 0.80 F2 (0.59) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-02 — — US claimed
US-7030110-B2 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 — — US disclosed
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-03-16 — — US disclosed
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 — — US disclosed
US-6476016-B2 INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-05 — — 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 (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-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI F2 12/4885PRSS1 15/4885KDM4E 2813/4885
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI F2 12/4885PRSS1 15/4885KDM4E 2813/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 F2 9/4885PRSS1 15/4885KDM4E 2864/4885

“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.