SCHEMBL6087779

SCHEMBL6087779

CC(C)(C)OC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 10/20 0.52
CMA1 P23946 8/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ELANE P08246 7/20 0.51
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL30765599 0.86 CTRC (0.54) CTRCCMA1KDM4EALDH1A1ELANE
SCHEMBL30765666 0.86 KDM4E (0.51) CTRCCMA1KDM4EALDH1A1ELANE
SCHEMBL30765660 0.86 KDM4E (0.51) CTRCCMA1KDM4EALDH1A1ELANE
SCHEMBL30765953 0.83 ALDH1A1 (0.42) CTRCCMA1KDM4EALDH1A1ELANE
SCHEMBL7336849 0.82 KDM4E (0.48) CTRCCMA1KDM4EALDH1A1ELANE
SCHEMBL6239360 0.82 CMA1 (0.53) CTRCCMA1KDM4EELANE
SCHEMBL31558583 0.82 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7476393 0.82 ALDH1A1 (0.47) CTRCCMA1KDM4EALDH1A1ELANE
Hydrochloric Acid SCHEMBL6805327 0.81 CMA1 (0.53) CTRCCMA1KDM4EELANE
SCHEMBL6804111 0.81 CMA1 (0.53) CTRCCMA1KDM4EELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-6906068-B1 Substituted polycyclic aryl and heteroaryl 1,2,4 - triazinones useful as anticoagulants PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-03-10 US disclosed
CN-1157380-C Substituted polycyclic aryl and heteroaryl pyrymidinones useful as anticoagulants agents �ź㴫 2004-07-14 CN disclosed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US disclosed
US-6750342-B1 INHIBITORS OF SERINE PROTEASES; ANTICOAGULANT PHARMACIA CORPORATION 2004-06-15 US disclosed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US disclosed
CN-1351593-A Substituted polycyclic aryl and heteroaryl pyrymidinones useful as anticoagulants agents PHARMACIA CO (US) 2002-05-29 CN disclosed
EP-1178970-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS Pharmacia Corporation (US) 2002-02-13 EP disclosed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 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-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, SERPINC1 CTRC 35/4885CMA1 138/4885KDM4E 2533/4885

“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.