SCHEMBL6292013

SCHEMBL6292013

N=C(N)c1cc[c]cc1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
F12 P00748 1/20 0.30
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL28160872 0.82 PRSS1 (0.34) LMNAPRSS1PRSS2C1SPRSS3
SCHEMBL1975862 0.78 KDM4E (0.50) RECQLKMT2A
SCHEMBL8133375 0.77 PRSS1 (0.36) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL1947313 0.77 PRSS1 (0.31) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL7987220 0.77 LMNA (0.34) LMNAPRSS1PRSS2C1SPRSS3
SCHEMBL3835497 0.72 PRSS1 (0.31) PRSS1PRSS2C1SPRSS3RECQL
SCHEMBL3833499 0.72 LMNA (0.34) LMNAPRSS1PRSS2C1SPRSS3
SCHEMBL8163828 0.72 CES2 (0.31)
SCHEMBL7989399 0.72 PRSS1 (0.37) PRSS1PRSS2PRSS3F10F7
SCHEMBL16798362 0.72 KMT2A (0.36) PRSS1PRSS2C1SPRSS3RECQL

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110968-B1 Intermediate for the preparation of Thrombininhibitors as anticoagulant agents LILLY CO ELI (US) 2003-10-01 EP claimed
US-6552038-B1 For use as thrombin inhibitors, coagulation inhibitors and agents for therapy of thromboembolic disorders ELI LILLY AND COMPANY 2003-04-22 US claimed
US-6534650-B2 Thrombin inhibitors ELI LILLY AND COMPANY 2003-03-18 US claimed
EP-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP claimed
US-20010018423-A1 Anticoagulant agents KLIMKOWSKI VALENTINE J (US) 2001-08-30 US claimed
EP-1110968-A1 Thrombininhibitors as anticoagulant agents Eli Lilly & Company (US) 2001-06-27 EP claimed
US-6200967-B1 USED AS THROMBIN INHIBITORS, COAGULATION INHIBITORS AND AGENTS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2001-03-13 US claimed
US-6160176-A Anticoagulant agents ELI LILLY AND COMPANY (US) 2000-12-12 US claimed
US-6034104-A CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 2000-03-07 US claimed
US-5863929-A ADMINISTERING ORTHO-HYDROXYBENZAMIDINE DERIVATIVES AS ANTITHROMBIN AGENT ELI LILLY AND COMPANY (US) 1999-01-26 US claimed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed
WO-1997049404-A1 ANTICOAGULANT AGENTS ELI LILLY AND COMPANY (US) 1997-12-31 WO claimed
CN-101405275-A Triazolone Derivatives EISAI R&D MAN CO LTD (JP) 2009-04-08 CN disclosed
US-20050267123-A1 6-Membered heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-12-01 US disclosed
US-6969715-B2 6-membered heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-11-29 US disclosed
EP-1438292-A1 6-MEMBERED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-07-21 EP disclosed
US-6008367-A NITRILE AND AMINO SUBSTITUTED ISOOXAZOLE DERIVATIVE ELI LILLY AND COMPANY (US) 1999-12-28 US disclosed
US-5863929-A ADMINISTERING ORTHO-HYDROXYBENZAMIDINE DERIVATIVES AS ANTITHROMBIN AGENT ELI LILLY AND COMPANY (US) 1999-01-26 US disclosed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997049404-A1 ANTICOAGULANT AGENTS ELI LILLY AND COMPANY (US) 1997-12-31 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 (2 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-20050267123-A1 6-Membered heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, SERPINC1 LMNA 1275/4885PRSS1 55/4885PRSS2 119/4885
US-20010018423-A1 Anticoagulant agents SERPINC1, F12, F11 LMNA 507/4885PRSS1 328/4885PRSS2 506/4885

“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.