SCHEMBL16611757

SCHEMBL16611757

O=c1[nH]ccc2c1c(-c1ccccc1)nn2C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.47
JAK1 P23458 6/20 0.47
NSD3 Q9BZ95 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LCK P06239 2/20 0.41
BTK Q06187 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LYN P07948 1/20 0.41
ESR1 P03372 3/20 0.40
PIK3CD O00329 3/20 0.39
ABL1 P00519 3/20 0.39
EGFR P00533 3/20 0.39
HCK P08631 3/20 0.39
SRC P12931 3/20 0.39

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
SCHEMBL16611902 0.88 JAK2 (0.40) JAK2JAK1LCKBTKPIK3CD
SCHEMBL16610948 0.87 PIK3CD (0.40) JAK2JAK1NSD3LCKBTK
SCHEMBL16726693 0.87 PIK3CD (0.40) JAK2JAK1LCKBTKESR1
SCHEMBL16611356 0.87 JAK2 (0.49) JAK2JAK1BTKESR1PIK3CD
SCHEMBL16726642 0.86 PIK3CD (0.40) JAK2JAK1LCKBTKESR1
SCHEMBL16611850 0.86 JAK2 (0.42) JAK2JAK1LCKBTKESR1
SCHEMBL16611267 0.84 CMKLR1 (0.42) LCKBTKLYNPIK3CDABL1
SCHEMBL18052598 0.84 PIK3CD (0.41) JAK2JAK1LCKBTKLYN
SCHEMBL16611535 0.84 JAK2 (0.52) JAK2JAK1PRKDC
SCHEMBL16610662 0.84 JAK1 (0.47) JAK2JAK1EGFR

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 11 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
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 JAK2 1/4885JAK1 2/4885NSD3 221/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885NSD3 221/4885

“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.