SCHEMBL2933736

SCHEMBL2933736

O=C(NCCN1CCCC1)c1ccc(Nc2cncc(-c3ccc(O)cc3)n2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATR Q13535 5/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
BRAF P15056 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE4B Q07343 1/20 0.42
IKBKB O14920 3/20 0.42
CHUK O15111 1/20 0.42
MAPK10 P53779 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL2926093 0.87 IGF1R (0.50) KMT2ABRAFSCN9A
SCHEMBL2977818 0.85 BRAF (0.53) ABL1ALDH1A1ATRBRAFIKBKB
SCHEMBL2933848 0.83 HTR4 (0.53) BRAF
SCHEMBL2927502 0.79 PIM3 (0.51) BRAF
SCHEMBL2932525 0.78 LRRK2 (0.46) ABL1ATRBRAF
SCHEMBL4883827 0.77 LMNA (0.51) ALDH1A1MEN1KMT2APDE4BHSD17B10
SCHEMBL13515288 0.76 KDR (0.56) ABL1BRAFADORA2AADORA2BADORA1
SCHEMBL2934885 0.75 BRAF (0.54) ALDH1A1BRAFHPGD
SCHEMBL28125655 0.75 ATR (0.64) ALDH1A1MEN1KMT2AATRIKBKB
SCHEMBL13515294 0.74 KDR (0.47) ALDH1A1KMT2AMAPK10HDAC3HDAC4

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 disclosed
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
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 ABL1 467/4885ALDH1A1 3748/4885MEN1 456/4885

“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.