SCHEMBL4089996

SCHEMBL4089996

Cc1cc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)nc(N2CC3CC2CN3C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
PARP1 P09874 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CAMK2D Q13557 4/20 0.38
PFKFB3 Q16875 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPK14 Q16539 5/20 0.36
ITGAL P20701 1/20 0.36
TGFBR1 P36897 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
MAP3K13 O43283 1/20 0.35
MAP3K12 Q12852 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL4096958 0.88 PARP1 (0.40) HDAC1PARP1CAMK2DPFKFB3MAPK10
SCHEMBL4090922 0.87 HDAC1 (0.38) HDAC1PARP1GPR119CAMK2DPFKFB3
SCHEMBL4091452 0.87 HDAC1 (0.38) HDAC1PARP1GPR119CAMK2DPFKFB3
SCHEMBL4084511 0.87 PARP1 (0.42) HDAC1PARP1GPR119CAMK2DPFKFB3
SCHEMBL4089979 0.86 HDAC1 (0.46) HDAC1PARP1GPR119CAMK2DMAPK10
SCHEMBL4103101 0.85 HDAC1 (0.41) HDAC1PARP1CAMK2DMAPK14TBK1
SCHEMBL5981518 0.84 GPR119 (0.42) HDAC1PARP1GPR119MAPK14ITGAL
SCHEMBL5981522 0.84 GPR119 (0.42) HDAC1PARP1GPR119MAPK14ITGAL
SCHEMBL4091120 0.82 MAP3K12 (0.43) CAMK2DMAPK10MAPK14MAP3K12
SCHEMBL13708582 0.82 PARP1 (0.42) HDAC1PARP1CAMK2DMAPK14ITGAL

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 disclosed
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-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 HDAC1 1562/4885PARP1 1569/4885GPR119 701/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HDAC1 2036/4885PARP1 2042/4885GPR119 527/4885

“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.