SCHEMBL2931673

SCHEMBL2931673

COC(=O)c1ccc(Nc2cncc(-c3cc4cc(F)ccc4[nH]3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.43
MAPK13 O15264 1/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40

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
SCHEMBL2933705 0.89 XDH (0.48) MAP2K4GCGRMAPK14XDHSLC22A12
SCHEMBL13515295 0.87 CCNA2 (0.41) MAP2K4KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL13515305 0.81 PYGL (0.42) TSHRKDM4EHPGDLMNAFLT3
SCHEMBL2930138 0.81 MKNK2 (0.47)
SCHEMBL2927768 0.79 HRH4 (0.49) HPGD
Trifluoroacetic Acid SCHEMBL2931649 0.76 HRH4 (0.45)
SCHEMBL167256 0.75 HDAC6 (0.52) MAP2K4MAPK13ALOX5GCGRMAPK12
SCHEMBL27745032 0.75 PPARA (0.47) TSHRKDM4EHPGDLMNA
SCHEMBL2934227 0.74 DYRK2 (0.45) FLT3
SCHEMBL2927033 0.73 GRM5 (0.49)

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 2 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
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US 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 MAP2K4 491/4885MAPK13 282/4885ALOX5 4117/4885

“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.