SCHEMBL4101747

SCHEMBL4101747

CN1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3)c2)cc2nccn12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CHRNA7 P36544 4/20 0.39
KCNH2 Q12809 3/20 0.39
HRH4 Q9H3N8 3/20 0.39
HRH1 P35367 2/20 0.39
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
NOS2 P35228 1/20 0.38
FLT3 P36888 2/20 0.37
ACHE P22303 3/20 0.37
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4089478 0.90 NOS2 (0.36) CCNA2CDK2CCNA1HRH4HRH1
SCHEMBL4096043 0.89 CHRNA7 (0.38) CHRNA7KCNH2CDK9CCNT1
SCHEMBL4090269 0.89 ACHE (0.37) CCNA2CDK2CCNA1HRH4HRH1
SCHEMBL4090559 0.89 ACHE (0.37) CCNA2CDK2CCNA1HRH4HRH1
SCHEMBL4089120 0.85 IRAK4 (0.42) CCNA2CDK2CCNA1HRH4HRH1
SCHEMBL4084319 0.85 IRAK4 (0.42) CCNA2CDK2CCNA1HRH4HRH1
SCHEMBL4095014 0.85 MAPK14 (0.42) CHRNA7KCNH2MAPK14MAPK13MAPK12
SCHEMBL4103075 0.85 MAPK14 (0.42) CHRNA7KCNH2MAPK14MAPK13MAPK12
SCHEMBL4095021 0.85 MAPK14 (0.42) CHRNA7KCNH2MAPK14MAPK13MAPK12
SCHEMBL4091329 0.84 ACHE (0.44) CCNA2CDK2CCNA1ACHECDK9

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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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 CCNA2 1419/4885CDK2 443/4885CCNA1 1661/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 CCNA2 1528/4885CDK2 497/4885CCNA1 1937/4885

“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.