SCHEMBL2931324

SCHEMBL2931324

O=C(c1ccc(-c2cncc(-c3cc4cc(F)ccc4[nH]3)n2)cc1)N1CCOCC1.O=C(c1ccc(B(O)O)cc1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.48
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
RIPK1 Q13546 1/20 0.43
HPGD P15428 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KCNH2 Q12809 1/20 0.41
JAK2 O60674 1/20 0.40
BRD4 O60885 1/20 0.40
FYN P06241 1/20 0.40
GPR183 P32249 1/20 0.40
MGLL Q99685 1/20 0.39
GRM2 Q14416 1/20 0.39
KMT2A Q03164 1/20 0.38
ERN1 O75460 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL2930189 0.94 ATR (0.52) ATRCDK5CDK5R1RIPK1HPGD
SCHEMBL4894908 0.85 HPGD (0.44) ATRCDK5CDK5R1RIPK1HPGD
SCHEMBL2927051 0.83 HRH4 (0.56) ATRCDK5CDK5R1RIPK1BRD4
SCHEMBL2927882 0.82 RIPK1 (0.55) ATRCDK5CDK5R1RIPK1HPGD
Hydrochloric Acid SCHEMBL2935656 0.81 RIPK1 (0.54) ATRCDK5CDK5R1RIPK1HPGD
SCHEMBL13515285 0.81 BTK (0.48) ATRCDK5CDK5R1RIPK1HPGD
Hydrochloric Acid SCHEMBL2933310 0.80 BTK (0.48) ATRCDK5CDK5R1RIPK1HPGD
SCHEMBL2925996 0.78 HPGD (0.49) ATRCDK5CDK5R1RIPK1HPGD
SCHEMBL2936901 0.73 FASN (0.53) RIPK1HPGDJAK2FYNHRH3
SCHEMBL2927054 0.73 POLB (0.49) ATRRIPK1HPGDJAK2MGLL

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 ATR 556/4885CDK5 240/4885CDK5R1 205/4885

“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.