SCHEMBL2928408

SCHEMBL2928408

COc1cc(C(=O)O)ccc1Nc1cncc(-c2cc3cc(F)ccc3[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.46
PYGL P06737 1/20 0.42
BRAF P15056 3/20 0.42
LRRK2 Q5S007 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
TTK P33981 1/20 0.41
RAF1 P04049 1/20 0.39
FLT3 P36888 1/20 0.39
AURKA O14965 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL2927992 0.88 ALDH1A1 (0.40) BRAFLRRK2CCNA2CDK2TTK
SCHEMBL14269675 0.88 TTK (0.43) BRAFLRRK2CCNA2CDK2TTK
SCHEMBL2932841 0.88 PIM3 (0.48) PIM3BRAFLRRK2CCNA2CDK2
SCHEMBL2933784 0.88 PIM3 (0.42) PIM3AURKA
SCHEMBL2932358 0.87 IGF1R (0.39) PIM3BRAFLRRK2CCNA2CDK2
Trifluoroacetic Acid SCHEMBL2928643 0.86 PTK2 (0.39) LRRK2CCNA2CDK2TTKAURKA
SCHEMBL2928690 0.86 AURKA (0.47) PIM3PYGLCCNA2CDK2TTK
SCHEMBL2930971 0.86 DYRK1A (0.47) LRRK2CCNA2CDK2TTK
SCHEMBL2931732 0.86 TTK (0.42) LRRK2CCNA2CDK2TTK
SCHEMBL4244323 0.86 PTK2 (0.39) LRRK2CCNA2CDK2TTKAURKA

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 7 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
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 PIM3 2131/4885PYGL 495/4885BRAF 524/4885

“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.