SCHEMBL16611792

SCHEMBL16611792

CC(C)(C)n1nc(-c2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDGFRB P09619 1/20 0.39
SYK P43405 2/20 0.39
PRKDC P78527 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
XDH P47989 1/20 0.37
ROCK1 Q13464 1/20 0.36
RAD51 Q06609 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
SCHEMBL16610691 0.78 PDE3B (0.38) ZAP70PDE3BPDE3APDGFRBSYK
SCHEMBL16610717 0.77 ZAP70 (0.38) ZAP70PDE3BPDE3APDGFRBSYK
SCHEMBL18052595 0.77 SRC (0.35) PDGFRBPRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL16611423 0.77 ZAP70 (0.41) ZAP70PDGFRBSYKPIK3CDPIK3CA
SCHEMBL16611949 0.77 ZAP70 (0.41) ZAP70PDE3BPDE3APDGFRBSYK
SCHEMBL16610690 0.76 CHUK (0.41) PRKDCPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL16611399 0.76 ZAP70 (0.41) ZAP70PDE3BPDE3APDGFRBSYK
SCHEMBL16611420 0.75 ZAP70 (0.37) ZAP70PDE3BPDE3APDGFRBSYK
SCHEMBL16610837 0.75 LRRK2 (0.44) SYKPRKDCPIK3CDPIK3CA
SCHEMBL16611369 0.72 CCNA2 (0.41) ZAP70PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ZAP70 574/4885PDE3B 783/4885PDE3A 822/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ZAP70 574/4885PDE3B 783/4885PDE3A 822/4885

“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.