SCHEMBL4084666

SCHEMBL4084666

C[C@H](Nc1cc(-c2nc(N3C[C@@H]4C[C@H]3CN4C(=O)OC(C)(C)C)c3ccccc3n2)ccn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
GBA1 P04062 2/20 0.42
HDAC1 Q13547 1/20 0.40
PRKCI P41743 2/20 0.39
MAPK14 Q16539 6/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
CAMK2D Q13557 3/20 0.37
MAPK8 P45983 1/20 0.37
PRKD1 Q15139 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ITGAL P20701 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
SCHEMBL13708582 1.00 PARP1 (0.42) PARP1GBA1HDAC1PRKCIMAPK14
SCHEMBL4084220 1.00 PARP1 (0.42) PARP1GBA1HDAC1PRKCIMAPK14
SCHEMBL4084511 0.87 PARP1 (0.42) PARP1HDAC1MAPK14MAPK13MAPK12
SCHEMBL5979897 0.85 PARP1 (0.41) PARP1GBA1HDAC1MAPK14MAPK8
SCHEMBL4089028 0.84 PARP1 (0.46) PARP1GBA1HDAC1MAPK8ABCB1
SCHEMBL4091371 0.84 PARP1 (0.46) PARP1GBA1HDAC1MAPK8ABCB1
SCHEMBL4089979 0.84 HDAC1 (0.46) PARP1HDAC1MAPK14RAF1MAPK9
SCHEMBL4095020 0.83 MAPK14 (0.45) PRKCIMAPK14MAPK13MAPK12MAPK11
SCHEMBL4090541 0.83 MAPK14 (0.45) PRKCIMAPK14MAPK13MAPK12MAPK11
SCHEMBL4095008 0.83 MAPK14 (0.45) PRKCIMAPK14MAPK13MAPK12MAPK11

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 3 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-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 PARP1 1569/4885GBA1 2718/4885HDAC1 1562/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885GBA1 2545/4885HDAC1 2036/4885

“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.