SCHEMBL16611388

SCHEMBL16611388

COc1ncc(Cl)c2c1c(-c1ccc(C(=O)NCCO)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
NTRK1 P04629 4/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FYN P06241 2/20 0.37
MET P08581 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
GABRA5 P31644 2/20 0.36
SCN9A Q15858 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
SCHEMBL16610793 0.89 RORC (0.40) KCNJ5KCNJ3NTRK1SCN9A
SCHEMBL16611192 0.87 KCNJ5 (0.39) KCNJ5KCNJ3SMN1; SMN2KDM4EKMT2A
SCHEMBL16611334 0.86 RORC (0.46) KCNJ5KCNJ3SCN9A
SCHEMBL16610718 0.80 NPSR1 (0.42) NPSR1L3MBTL1KCNJ5KCNJ3NTRK1
SCHEMBL16610870 0.78 KCNJ5 (0.41) KCNJ5KCNJ3
SCHEMBL16611950 0.78 RORC (0.44) KCNJ5KCNJ3NTRK1KMT2ASCN9A
SCHEMBL16611410 0.77 KCNJ5 (0.36) KCNJ5KCNJ3NTRK1METSCN9A
SCHEMBL16610963 0.76 DGAT2 (0.44) DGAT2NTRK1METKDM4EKMT2A
SCHEMBL16611435 0.76 KCNJ5 (0.42) KCNJ5KCNJ3ABL1FYNPIK3CA
SCHEMBL16610791 0.76 KCNJ5 (0.36) KCNJ5KCNJ3SMN1; SMN2KDM4EKMT2A

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 4 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-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
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 2322/4885KCNJ5 2242/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 NPSR1 2927/4885L3MBTL1 2322/4885KCNJ5 2242/4885

“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.