SCHEMBL2929014

SCHEMBL2929014

O=C(c1ccc(-c2cncc(Cl)n2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.57
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
AKR1C3 P42330 1/20 0.52
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
ATR Q13535 1/20 0.49
HDAC4 P56524 1/20 0.49
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
BRD9 Q9H8M2 1/20 0.46
JAK2 O60674 1/20 0.46
LRRK2 Q5S007 1/20 0.46
RIPK1 Q13546 1/20 0.46

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 0.86 MKNK1 (0.60) PHGDHHPGDSMN1; SMN2AKR1C3KCNH2
SCHEMBL18766579 0.86 HPGD (0.45) HPGDALDH1A1PKMATRMKNK1
SCHEMBL2926839 0.83 HPGD (0.53) PHGDHHPGDSMN1; SMN2AKR1C3KCNH2
SCHEMBL2931412 0.80 CHEK1 (0.62) HPGDSMN1; SMN2ALDH1A1ATRMKNK1
SCHEMBL21058591 0.80 PHGDH (0.57) PHGDHHPGDSMN1; SMN2AKR1C3ALDH1A1
SCHEMBL2933173 0.79 HPGD (0.50) PHGDHHPGDSMN1; SMN2KCNH2ALDH1A1
SCHEMBL18766581 0.79 MEN1 (0.59) ATRHDAC4
SCHEMBL3993564 0.79 PHGDH (0.63) PHGDHHPGDSMN1; SMN2AKR1C3PKM
SCHEMBL2936901 0.78 FASN (0.53) HPGDSMN1; SMN2JAK2RIPK1
SCHEMBL2927882 0.78 RIPK1 (0.55) HPGDSMN1; SMN2ATRMKNK1MKNK2

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 4 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-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP 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 PHGDH 3961/4885HPGD 3066/4885SMN1; 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.