SCHEMBL2933095

SCHEMBL2933095

O=C(O)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
CDK5 Q00535 6/20 0.53
CDK5R1 Q15078 6/20 0.53
CYP19A1 P11511 1/20 0.51
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
ITK Q08881 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14269575 0.99 CASP3 (0.55) CASP3SENP8SENP7SENP6CDK5
SCHEMBL2933094 0.86 CDK5 (0.52) CASP3SENP8SENP7SENP6CDK5
SCHEMBL7941122 0.85 CASP3 (0.71) CASP3SENP8SENP7SENP6CYP19A1
Benzoic Acid SCHEMBL28780935 0.84 CYP19A1 (0.50) CASP3SENP8SENP7SENP6CDK5
SCHEMBL25455013 0.82 CDK5 (0.76) CASP3SENP8SENP7SENP6CDK5
SCHEMBL2933637 0.82 CDK5 (0.55) CASP3SENP8SENP7SENP6CDK5
SCHEMBL25168239 0.82 CYP19A1 (0.72) CASP3SENP8SENP7SENP6CDK5
SCHEMBL2931827 0.79 RIPK1 (0.59) CDK5CDK5R1MKNK1MKNK2ALDH1A1
SCHEMBL2931442 0.79 RIPK1 (0.59) CDK5CDK5R1MKNK1MKNK2HPGD
SCHEMBL22996151 0.77 DHODH (0.55) CASP3SENP8SENP7SENP6MKNK1

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 CASP3 3930/4885SENP8 4507/4885SENP7 4420/4885

“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.