SCHEMBL4095574

SCHEMBL4095574

CCN1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3F)c2)cc2nccn12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.34
MAP3K12 Q12852 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
BRAF P15056 1/20 0.33
VCP P55072 1/20 0.33
MAPK14 Q16539 3/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
ATR Q13535 1/20 0.32
MAPK1 P28482 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
BDKRB1 P46663 1/20 0.30

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
SCHEMBL4096043 0.91 CHRNA7 (0.38) PFKFB3VCPATRMAPK1CCNT1
SCHEMBL4089478 0.90 NOS2 (0.36) MAP3K12KDM4EMAPK14MAPK13MAPK12
SCHEMBL4094675 0.88 MAPK1 (0.34) PFKFB3MAP3K12KDM4ELMNAVCP
SCHEMBL13708605 0.88 MAPK1 (0.34) PFKFB3MAP3K12KDM4ELMNAVCP
SCHEMBL4084445 0.85 IRAK4 (0.40) PFKFB3MAP3K12BRAFVCPATR
SCHEMBL13708602 0.85 IRAK4 (0.40) PFKFB3MAP3K12BRAFVCPATR
SCHEMBL4096256 0.83 HDAC1 (0.38) VCPBDKRB1
SCHEMBL4084897 0.83 MAPK14 (0.40) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4084894 0.83 MAPK14 (0.40) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4094696 0.83 MAPK14 (0.40) MAP3K12MAPK14MAPK13MAPK12MAPK11

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-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO claimed
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PFKFB3 1572/4885MAP3K12 397/4885KDM4E 3476/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PFKFB3 1125/4885MAP3K12 285/4885KDM4E 3709/4885

“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.