SCHEMBL1888098

SCHEMBL1888098

O=C(O)Cn1ccnc(Cl)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.40
LMNA P02545 1/20 0.39
ADORA2B P29275 1/20 0.39
ESR1 P03372 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 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
SCHEMBL28735247 0.80 LMNA (0.40) FPR2LMNAADORA2BESR1SMN1; SMN2
SCHEMBL12636575 0.79 FPR2 (0.46) FPR2LMNAALDH1A1KMT2AKDM4E
SCHEMBL11250299 0.76 KMT2A (0.36) LMNASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL30765892 0.75 LMNA (0.49) LMNAALDH1A1KMT2APOLBMAPT
SCHEMBL29068022 0.73 GRM2 (0.43) ADORA2BALDH1A1KMT2APOLB
SCHEMBL2503280 0.73 FPR2 (0.39) FPR2LMNAESR1SMN1; SMN2CSNK2A2
SCHEMBL938206 0.72 ARG1 (0.53) FPR2LMNAESR1SMN1; SMN2CSNK2A2
SCHEMBL369240 0.72 ALPL (0.54) ESR1SMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL4288735 0.72 FPR2 (0.40) FPR2LMNAESR1SMN1; SMN2CSNK2A2
SCHEMBL15501010 0.72 CSNK2A2 (0.46) FPR2LMNAESR1SMN1; SMN2CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541580-B2 Process for the preparation of pyrazinone thrombin inhibitor and its intermediates DIAKRON PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
EP-2496087-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES Diakron Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
WO-2011056806-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 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 (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-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 FPR2 678/4885LMNA 1162/4885ADORA2B 1474/4885

“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.