SCHEMBL2931418

SCHEMBL2931418

CN1CCN(C(=O)c2cccc(Nc3cncc(-c4ccc(O)cc4)n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
BRAF P15056 4/20 0.49
ATR Q13535 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDR P35968 1/20 0.46
GSK3B P49841 2/20 0.45
CCNE2 O96020 1/20 0.45
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
IGF1R P08069 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL13515277 0.83 FASN (0.50) SRCBRAFATRCCNE1CDK2
SCHEMBL13515300 0.83 MKNK1 (0.46) SRCBRAFATRCCNE1CDK2
SCHEMBL2932525 0.83 LRRK2 (0.46) SRCBRAFATRCDK2MKNK1
SCHEMBL13515311 0.81 PIM3 (0.54) BRAFMKNK1MKNK2IGF1RDYRK1A
SCHEMBL2934437 0.81 TTK (0.52) BRAFIGF1RDYRK1A
SCHEMBL2930599 0.81 BRAF (0.56) BRAFKDRABL1BCR
SCHEMBL2932963 0.79 CHEK1 (0.58) SRCBRAFATRCCNE1CDK2
SCHEMBL2936774 0.78 BRAF (0.44) BRAFALDH1A1KDRGSK3BDYRK1A
Trifluoroacetic Acid SCHEMBL2931457 0.78 FASN (0.46) SRCATRCCNE1CDK2MKNK1
SCHEMBL2929332 0.78 CCNT1 (0.56) SRCATRCCNE1CDK2CCNT1

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 SRC 425/4885BRAF 524/4885ATR 556/4885

“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.