SCHEMBL2931488

SCHEMBL2931488

Nc1ncc(-c2ccc(C(=O)O)cc2)nc1-c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.64
CHEK1 O14757 2/20 0.63
ATR Q13535 5/20 0.53
AKR1B1 P15121 1/20 0.51
PRKDC P78527 1/20 0.51
ATM Q13315 1/20 0.51
LDHA P00338 1/20 0.51
LDHB P07195 1/20 0.51
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PIK3CG P48736 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL6696482 0.88 PIK3CG (0.55) NEK2CHEK1ATRAKR1B1PRKDC
SCHEMBL20371187 0.87 NEK2 (0.66) NEK2CHEK1ATRLDHALDHB
SCHEMBL934795 0.85 ADORA1 (0.56) ATRPRKDCATMPIK3CG
SCHEMBL6701889 0.85 ADORA1 (0.56) ATRPRKDCATMPIK3CG
SCHEMBL2936756 0.84 ATR (0.62) ATR
SCHEMBL18381465 0.84 KCNH2 (0.66) NEK2CHEK1ATRLDHALDHB
SCHEMBL20371189 0.82 NEK2 (0.60) NEK2CHEK1ATRLDHALDHB
SCHEMBL15201610 0.82 ATR (0.64) NEK2CHEK1ATRPRKDCATM
SCHEMBL11908281 0.82 ATR (0.67) ATRAKR1B1PRKDCATMPIK3CG
SCHEMBL2926014 0.81 MAPK1 (0.52) NEK2CHEK1ATRAKR1B1PRKDC

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 9 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
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
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US 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
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 NEK2 1/4885CHEK1 162/4885ATR 556/4885

“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.