SCHEMBL2932841

SCHEMBL2932841

COc1cc(C(=O)O)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.48
BRAF P15056 4/20 0.46
LRRK2 Q5S007 1/20 0.43
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
TTK P33981 3/20 0.42
RAF1 P04049 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL2928408 0.88 PIM3 (0.46) PIM3BRAFLRRK2CCNA2CDK2
SCHEMBL2931433 0.87 IRAK4 (0.44) PIM3BRAFLRRK2TTKALDH1A1
SCHEMBL14294231 0.87 LRRK2 (0.49) LRRK2TTK
SCHEMBL2930788 0.85 KDR (0.50) LRRK2CCNA2CDK2TTK
SCHEMBL2930885 0.85 TTK (0.45) PIM3BRAFLRRK2CCNA2CDK2
SCHEMBL2935136 0.85 BCL6 (0.43) PIM3CCNA2CDK2TTKAURKA
SCHEMBL13515292 0.85 KDR (0.53) LRRK2ALDH1A1HPGDTSHR
SCHEMBL2933090 0.85 KDR (0.53) LRRK2ALDH1A1HPGDTSHR
SCHEMBL2925991 0.85 KDR (0.53) LRRK2ALDH1A1HPGDTSHR
SCHEMBL2934905 0.84 TTK (0.46) BRAFLRRK2CCNA2CDK2TTK

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 8 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
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 2131/4885BRAF 524/4885LRRK2 309/4885

“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.