SCHEMBL2928649

SCHEMBL2928649

COc1cc(Nc2cncc(-c3cc4cc(F)ccc4[nH]3)n2)c(Cl)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CSF1R P07333 1/20 0.37
FLT3 P36888 1/20 0.37
PYGL P06737 2/20 0.36
LRRK2 Q5S007 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AURKA O14965 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 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
SCHEMBL2933717 0.87 LRRK2 (0.51) LRRK2
Trifluoroacetic Acid SCHEMBL2933810 0.84 LRRK2 (0.49) LRRK2
SCHEMBL2928408 0.83 PIM3 (0.46) PIM3BRAFFLT3PYGLLRRK2
SCHEMBL2928690 0.82 AURKA (0.47) PIM3ALDH1A1HPGDPYGLKDM4E
SCHEMBL2933849 0.77 BRAF (0.56) PIM3BRAFLRRK2AURKAAURKB
SCHEMBL2936464 0.77 LRRK2 (0.47) PIM3ALDH1A1HPGDLRRK2KDM4E
SCHEMBL2933784 0.77 PIM3 (0.42) PIM3ALDH1A1HPGDKDM4EAURKA
SCHEMBL14269675 0.76 TTK (0.43) BRAFLRRK2CCNA2CDK2TTK
SCHEMBL2927992 0.74 ALDH1A1 (0.40) ALDH1A1HPGDBRAFLRRK2AURKA
SCHEMBL2930971 0.74 DYRK1A (0.47) LRRK2CCNA2CDK2TTK

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP 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 PIM3 2131/4885ALDH1A1 3748/4885HPGD 3066/4885

“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.