SCHEMBL2933809

SCHEMBL2933809

O=C(c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1Cl)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 13/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDR P35968 2/20 0.42
LCK P06239 4/20 0.42
AURKB Q96GD4 3/20 0.42
SYK P43405 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
ATR Q13535 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
Trifluoroacetic Acid SCHEMBL2930646 0.94 PTK6 (0.41) PTK6HRH4HRH3RXFP1KDR
SCHEMBL2928708 0.84 BRAF (0.39) KDR
SCHEMBL2927739 0.83 KDR (0.51) PTK6HRH4HRH3KDRAURKB
Trifluoroacetic Acid SCHEMBL2932757 0.78 KDR (0.46) PTK6HRH4HRH3KDRAURKB
SCHEMBL2928571 0.77 BTK (0.53) RXFP1
SCHEMBL2931626 0.75 BRAF (0.39) KDRAURKBSYK
Acetic Acid SCHEMBL2934985 0.74 BTK (0.52) RXFP1
SCHEMBL2926056 0.74 DYRK2 (0.43) HRH4KDRSYK
SCHEMBL2927344 0.73 SYK (0.44) HRH4SYKIKBKBCHUKIKBKG
SCHEMBL2934019 0.72 BRAF (0.47) SYK

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 8 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
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO 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 PTK6 341/4885HRH4 1833/4885HRH3 936/4885

“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.