SCHEMBL2933637

SCHEMBL2933637

O=C(O)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.55
CDK5R1 Q15078 6/20 0.55
CHEK1 O14757 4/20 0.55
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
ITK Q08881 1/20 0.44
ESR1 P03372 1/20 0.44
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 0.83 CASP3 (0.55) CDK5CDK5R1CHEK1CASP3SENP8
SCHEMBL2933095 0.82 CASP3 (0.53) CDK5CDK5R1CHEK1CASP3SENP8
SCHEMBL7941122 0.82 CASP3 (0.71) CHEK1CASP3SENP8SENP7SENP6
SCHEMBL17422799 0.81 CDK5 (0.57) CDK5CDK5R1CASP3SENP8SENP7
SCHEMBL27745020 0.80 CDK5 (0.46) CDK5CDK5R1CHEK1CASP3SENP8
SCHEMBL17422726 0.80 CDK5 (0.56) CDK5CDK5R1CASP3SENP8SENP7
SCHEMBL2927882 0.80 RIPK1 (0.55) CDK5CDK5R1HPGD
Hydrochloric Acid SCHEMBL2935656 0.79 RIPK1 (0.54) CDK5CDK5R1HPGD
SCHEMBL2930486 0.79 CDK5 (0.44) CDK5CDK5R1ITK
SCHEMBL2927851 0.79 KDM4E (0.50) CDK5CDK5R1KDM4EHPGDALDH1A1

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 5 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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN 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 CDK5 240/4885CDK5R1 205/4885CHEK1 162/4885

“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.