SCHEMBL4091371

SCHEMBL4091371

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(Cl)c2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
GBA1 P04062 2/20 0.44
HDAC1 Q13547 2/20 0.43
MAPK8 P45983 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
SLC6A7 Q99884 1/20 0.37
RET P07949 2/20 0.37
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
SCHEMBL4089028 1.00 PARP1 (0.46) PARP1GBA1HDAC1MAPK8GPR119
SCHEMBL15645141 0.90 GPR119 (0.41) PARP1GBA1HDAC1MAPK8GPR119
SCHEMBL4091170 0.85 PARP1 (0.46) PARP1HDAC1MAPK8GPR119RET
SCHEMBL5979893 0.84 PARP1 (0.42) PARP1GBA1HDAC1MAPK8GPR119
SCHEMBL13708582 0.84 PARP1 (0.42) PARP1GBA1HDAC1MAPK8ABCG2
SCHEMBL4084666 0.84 PARP1 (0.42) PARP1GBA1HDAC1MAPK8ABCG2
SCHEMBL4084220 0.84 PARP1 (0.42) PARP1GBA1HDAC1MAPK8ABCG2
SCHEMBL5979897 0.84 PARP1 (0.41) PARP1GBA1HDAC1MAPK8GPR119
SCHEMBL4100723 0.83 PARP1 (0.54) PARP1GBA1HDAC1MAPK8GPR119
SCHEMBL4094782 0.83 PARP1 (0.54) PARP1GBA1HDAC1MAPK8GPR119

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-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 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.