SCHEMBL2931412

SCHEMBL2931412

O=C(c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.62
HPGD P15428 3/20 0.58
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
MKNK1 Q9BUB5 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
ATR Q13535 2/20 0.50
PIK3CA P42336 3/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
ERN1 O75460 1/20 0.49
PLK4 O00444 1/20 0.48
JAK2 O60674 1/20 0.48
MAP4K4 O95819 1/20 0.48
ROS1 P08922 1/20 0.48
FGFR1 P11362 1/20 0.48

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
SCHEMBL2932360 0.88 MKNK1 (0.60) CHEK1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2933714 0.81 HPGD (0.55) HPGDSMN1; SMN2ALDH1A1TP53ATR
SCHEMBL2933173 0.81 HPGD (0.50) HPGDSMN1; SMN2ALDH1A1MKNK1MKNK2
SCHEMBL2936901 0.80 FASN (0.53) HPGDSMN1; SMN2PIK3CAPLK4JAK2
SCHEMBL2929014 0.80 PHGDH (0.57) HPGDSMN1; SMN2ALDH1A1MKNK1MKNK2
SCHEMBL16420505 0.79 ATR (0.71) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1679573 0.79 KMT2A (0.59) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2927132 0.78 MKNK1 (0.62) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2927882 0.78 RIPK1 (0.55) HPGDSMN1; SMN2MKNK1MKNK2ATR
Hydrochloric Acid SCHEMBL2935656 0.77 RIPK1 (0.54) HPGDSMN1; SMN2MKNK1MKNK2ATR

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 CHEK1 162/4885HPGD 3066/4885RAB9A 1528/4885

“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.