SCHEMBL2929332

SCHEMBL2929332

CN1CCN(C(=O)c2cccc(Nc3cnccn3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.56
CDK2 P24941 3/20 0.56
CDK9 P50750 3/20 0.56
CCNE1 P24864 2/20 0.56
ITK Q08881 1/20 0.54
NTRK1 P04629 3/20 0.51
IGF1R P08069 1/20 0.51
SRC P12931 1/20 0.50
EPHX2 P34913 2/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
ATR Q13535 1/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GPR52 Q9Y2T5 2/20 0.45

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
SCHEMBL2931418 0.78 SRC (0.49) CCNT1CDK2CDK9CCNE1NTRK1
SCHEMBL4726117 0.78 CCNT1 (0.55) CCNT1CDK2CDK9CCNE1NTRK1
SCHEMBL16964852 0.77 EPHX2 (0.57) CCNT1CDK2CDK9CCNE1SRC
SCHEMBL18193200 0.76 EPHX2 (0.60) CCNT1CDK2CDK9CCNE1SRC
SCHEMBL15892521 0.76 EPHX2 (0.50) CCNT1CDK2CDK9CCNE1NTRK1
SCHEMBL15386530 0.75 EPHX2 (0.59) CCNT1CDK2CDK9CCNE1SRC
SCHEMBL13605610 0.75 CCNT1 (0.56) CCNT1CDK2CDK9CCNE1NTRK1
SCHEMBL10723960 0.74 HPGD (0.68) KDM4EL3MBTL1
SCHEMBL15623912 0.74 EPHX2 (0.65) EPHX2KDM4E
SCHEMBL3944569 0.74 TGFBR1 (0.54) CCNT1CDK2CDK9CCNE1IGF1R

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 CCNT1 747/4885CDK2 182/4885CDK9 319/4885

“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.