SCHEMBL16610932

SCHEMBL16610932

CC(C)(C#N)c1ccc(-c2cn(C3CCCC3)c3c(C#N)c[nH]c(=O)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.36
XDH P47989 2/20 0.36
PIK3CA P42336 3/20 0.34
PRKDC P78527 1/20 0.34
BTK Q06187 4/20 0.34
ABL1 P00519 3/20 0.32
EGFR P00533 3/20 0.32
SRC P12931 3/20 0.32
ABL2 P42684 3/20 0.32
SYK P43405 1/20 0.32
PGR P06401 1/20 0.31
MTOR P42345 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL16610802 0.84 SRC (0.41) XDHBTKABL1EGFRSRC
SCHEMBL16610742 0.82 XDH (0.37) XDHBTKABL1EGFRSRC
SCHEMBL16611255 0.81 CHUK (0.40) XDHBTKABL1EGFRSRC
SCHEMBL16623566 0.80 BTK (0.36) XDHBTKABL1EGFRSRC
SCHEMBL16610956 0.80 BTK (0.40) XDHBTKABL1EGFRSRC
SCHEMBL16610623 0.80 BTK (0.38) XDHBTKABL1EGFRSRC
SCHEMBL16611028 0.79 LRRK2 (0.42) XDHPIK3CABTKPIK3CDPIK3CB
SCHEMBL16611405 0.79 BMPR1A (0.38) XDHPIK3CAPIK3CDPIK3CG
SCHEMBL16610767 0.78 MTOR (0.36) XDHPIK3CABTKMTOR
SCHEMBL16611598 0.77 XDH (0.38) XDHBTK

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 10 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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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 BRD9 283/4885XDH 1789/4885PIK3CA 1120/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BRD9 283/4885XDH 1789/4885PIK3CA 1120/4885

“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.