SCHEMBL2932655

SCHEMBL2932655

O=C(O)c1ccc(-c2cncc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.72
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
TYR P14679 1/20 0.57
DRD1 P21728 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
AKR1B1 P15121 1/20 0.53
SRD5A2 P31213 1/20 0.52
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL31491105 0.93 CHEK1 (0.75) CHEK1KDM4EALDH1A1PIM3POLB
SCHEMBL2934761 0.84 CHEK1 (0.58) CHEK1AKR1B1CDK5CDK5R1ALDH1A1
SCHEMBL2932274 0.84 PIM3 (0.56) CHEK1AKR1B1PIM3RAB9ANPC1
SCHEMBL31118894 0.82 CHEK1 (0.51) CHEK1CA12AKR1B1CDK5CDK5R1
SCHEMBL24088722 0.81 CHEK1 (0.65) CHEK1KDM4EALDH1A1PIM3POLB
SCHEMBL24088658 0.81 CHEK1 (0.60) CHEK1KDM4EALDH1A1PIM3POLB
SCHEMBL25258053 0.79 CHEK1 (0.59) CHEK1KDM4EALDH1A1PIM3MKNK1
SCHEMBL28730780 0.78 EGFR (0.65) CHEK1CA12CA1CA2CA3
Terephthalic Acid SCHEMBL9715863 0.78 CA12 (0.84) CA12CA1CA2CA3TYR
SCHEMBL371652 0.78 CA12 (0.84) CA12CA1CA2CA3TYR

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 CHEK1 162/4885CA12 3948/4885CA1 3092/4885

“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.