SCHEMBL2931442

SCHEMBL2931442

O=C(c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.59
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP11B2 P19099 1/20 0.49
JAK2 O60674 1/20 0.47
MKNK1 Q9BUB5 4/20 0.47
MKNK2 Q9HBH9 4/20 0.47
EIF4E P06730 2/20 0.47
HPGD P15428 1/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
KDR P35968 2/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
HTR2B P41595 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
Trifluoroacetic Acid SCHEMBL2932794 0.93 RIPK1 (0.52) RIPK1POLBSMN1; SMN2CYP11B2JAK2
SCHEMBL2931827 0.88 RIPK1 (0.59) RIPK1POLBMKNK1MKNK2HPGD
SCHEMBL2927882 0.87 RIPK1 (0.55) RIPK1POLBSMN1; SMN2JAK2MKNK1
Hydrochloric Acid SCHEMBL2935656 0.86 RIPK1 (0.54) RIPK1POLBSMN1; SMN2JAK2MKNK1
Trifluoroacetic Acid SCHEMBL4886432 0.82 RIPK1 (0.52) RIPK1POLBHPGDKDRCCNC
SCHEMBL14269575 0.80 CASP3 (0.55) MKNK1MKNK2HPGDCDK5CDK5R1
SCHEMBL2933095 0.79 CASP3 (0.53) MKNK1MKNK2HPGDCDK5CDK5R1
SCHEMBL2932607 0.79 ATR (0.63) RIPK1HPGD
SCHEMBL2928571 0.79 BTK (0.53) RIPK1POLBSMN1; SMN2JAK2HPGD
SCHEMBL2933094 0.78 CDK5 (0.52) POLBMKNK1MKNK2HPGDCDK5

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 6 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 claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
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
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 RIPK1 592/4885POLB 1721/4885SMN1; SMN2 567/4885

“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.