SCHEMBL16623441

SCHEMBL16623441

CCC(CO)n1cc(-c2ccc(C#N)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.40
JAK1 P23458 7/20 0.40
PGR P06401 5/20 0.38
NR3C1 P04150 4/20 0.38
NR3C2 P08235 4/20 0.38
AR P10275 3/20 0.38
EGLN1 Q9GZT9 3/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
CYP11B2 P19099 2/20 0.33
TGFBR1 P36897 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL16610721 0.89 CRHR1 (0.39) JAK2JAK1PGRNR3C1NR3C2
SCHEMBL16726645 0.87 BRD4 (0.33) JAK2JAK1
SCHEMBL16623452 0.85 BRD9 (0.31)
SCHEMBL16623520 0.83 MAPT (0.36) ARKDRTGFBR1
SCHEMBL16610998 0.65 CRHR1 (0.40) JAK2PGRNR3C1NR3C2AR
SCHEMBL16794633 0.62 MAPT (0.62)
SCHEMBL1631024 0.62 PGR (0.83) PGRNR3C1NR3C2AR
SCHEMBL16623471 0.61 CCNE2 (0.39) KDRTEK
SCHEMBL15536272 0.61 MCL1 (0.52) ARCYP11B2
SCHEMBL16602028 0.59 PGR (0.40) PGRKDM4EALDH1A1HPGD

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-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
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 (1 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885PGR 765/4885

“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.