SCHEMBL4096043

SCHEMBL4096043

CN1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3F)c2)cc2nccn12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.38
KCNH2 Q12809 9/20 0.38
PFKFB3 Q16875 1/20 0.35
MAPK1 P28482 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
VCP P55072 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL4095574 0.91 PFKFB3 (0.34) PFKFB3MAPK1CCNT1CDK9VCP
SCHEMBL4094675 0.90 MAPK1 (0.34) PFKFB3MAPK1CCNT1CDK9VCP
SCHEMBL13708605 0.90 MAPK1 (0.34) PFKFB3MAPK1CCNT1CDK9VCP
SCHEMBL4101747 0.89 CCNA2 (0.40) CHRNA7KCNH2CCNT1CDK9
SCHEMBL4084445 0.86 IRAK4 (0.40) PFKFB3CCNT1CDK9VCPATR
SCHEMBL13708602 0.86 IRAK4 (0.40) PFKFB3CCNT1CDK9VCPATR
SCHEMBL4096256 0.85 HDAC1 (0.38) VCP
SCHEMBL4095014 0.81 MAPK14 (0.42) CHRNA7KCNH2CCNT1CDK9
SCHEMBL4095021 0.81 MAPK14 (0.42) CHRNA7KCNH2CCNT1CDK9
SCHEMBL4103075 0.81 MAPK14 (0.42) CHRNA7KCNH2CCNT1CDK9

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 CHRNA7 2222/4885KCNH2 3244/4885PFKFB3 1572/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 CHRNA7 2142/4885KCNH2 3119/4885PFKFB3 1125/4885

“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.