SCHEMBL4094568

SCHEMBL4094568

CCN1CC2CC1CN2c1nn(-c2ccnc(NCc3ccccc3)c2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
MAPK1 P28482 3/20 0.36
VCP P55072 1/20 0.35
BRAF P15056 1/20 0.34
CLK4 Q9HAZ1 5/20 0.34
HRH4 Q9H3N8 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
EGFR P00533 1/20 0.34
INSR P06213 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
KIT P10721 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL4100799 0.92 MAPK14 (0.37) NOS2MAPK1BRAFHRH4ACHE
SCHEMBL4095076 0.89 NOS2 (0.40) NOS2MAPK1BRAFCLK4HRH4
SCHEMBL4094799 0.87 NOS2 (0.38) NOS2MAPK1VCPCLK4HRH4
SCHEMBL4095132 0.85 PLK1 (0.41) MAPK1PLK1
SCHEMBL4099608 0.83 MAOB (0.42) NOS2BRAFCLK4HRH4CDC7
SCHEMBL4089781 0.83 MAOB (0.42) NOS2BRAFCLK4HRH4CDC7
SCHEMBL4094443 0.81 MAPK14 (0.39) NOS2BRAFHRH4CHEK1MET
SCHEMBL4094677 0.79 MEN1 (0.36) BRAFHRH4EGFRRETACHE
SCHEMBL4091469 0.79 MAPK14 (0.36) NOS2HRH4PLK1ACHECCNT1
SCHEMBL4089167 0.77 MEN1 (0.34) HRH4ACHETP53CCNT1CDK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US claimed
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 NOS2 1022/4885MAPK1 1258/4885VCP 4262/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 NOS2 937/4885MAPK1 1542/4885VCP 4359/4885

“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.