SCHEMBL2928708

SCHEMBL2928708

O=C(O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.39
GRIK1 P39086 1/20 0.39
XDH P47989 3/20 0.38
SLC22A12 Q96S37 3/20 0.38
KDR P35968 3/20 0.38
DDX3X O00571 1/20 0.38
GRM4 Q14833 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
CDK2 P24941 1/20 0.36
ITK Q08881 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL2931626 0.88 BRAF (0.39) BRAFXDHSLC22A12KDRDDX3X
SCHEMBL2933809 0.84 PTK6 (0.45) KDR
Trifluoroacetic Acid SCHEMBL2930646 0.81 PTK6 (0.41) KDR
SCHEMBL2935136 0.80 BCL6 (0.43) KDRCDK2ITK
SCHEMBL2934019 0.79 BRAF (0.47) BRAFTBK1ITK
SCHEMBL2933256 0.79 BRAF (0.57) BRAFITK
Acetic Acid SCHEMBL2933253 0.78 BRAF (0.47) BRAFITK
SCHEMBL2930125 0.76 CDK2 (0.55) XDHSLC22A12CDK2
SCHEMBL2932836 0.76 ITK (0.41) BRAFKDRITK
SCHEMBL2927043 0.76 HCAR3 (0.48) BRAFSLC22A12TBK1ITK

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 BRAF 524/4885GRIK1 167/4885XDH 729/4885

“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.