SCHEMBL16611344

SCHEMBL16611344

O=C(NCCO)c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NEK1 Q96PY6 1/20 0.41
GAA P10253 2/20 0.38
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
HPGD P15428 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MET P08581 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FYN P06241 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL16611425 0.86 MAP4K1 (0.39) GPR84MEN1KMT2APTGER1KDM4E
SCHEMBL16623593 0.84 RORC (0.45) HPGDPTGER1
SCHEMBL16611377 0.84 ALDH1A1 (0.35) HPGDMEN1KMT2APTGER1ATR
SCHEMBL16611046 0.83 PTGER1 (0.39) ABL1FYNPTGER1MAPK8
SCHEMBL16610718 0.83 NPSR1 (0.42) NPSR1L3MBTL1NEK1GAAHPGD
SCHEMBL16611853 0.82 MAPK1 (0.42) HPGDMEN1KMT2APTGER1KDM4E
SCHEMBL16610924 0.76 DHODH (0.40) ABL1FYNPTGER1
SCHEMBL16611283 0.76 PTGER1 (0.40) FYNPTGER1
SCHEMBL18052588 0.76 PTGER1 (0.35) PTGER1
SCHEMBL16611791 0.75 BRD4 (0.36) FYNPTGER1

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 NPSR1 2927/4885L3MBTL1 2322/4885NEK1 3058/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 NPSR1 2927/4885L3MBTL1 2322/4885NEK1 3058/4885

“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.