SCHEMBL16611592

SCHEMBL16611592

COc1nccc2c1c(-c1ccc(C3CCNCC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
CHRM3 P20309 2/20 0.42
HTR1A P08908 9/20 0.41
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 4/20 0.41
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
MAPK14 Q16539 2/20 0.35
HTR2C P28335 2/20 0.34
HTR6 P50406 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
HSPB1 P04792 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKACA P17612 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL16610743 0.87 SLC6A2 (0.38) SLC6A2CHRM3HTR1ASLC6A4SLC6A3
SCHEMBL16611300 0.84 KHK (0.46) SLC6A2CHRM3HTR1A
SCHEMBL16611684 0.77 RORC (0.43)
SCHEMBL16610962 0.77 MAP4K1 (0.41) FYN
SCHEMBL16611049 0.77 PTGS2 (0.43)
SCHEMBL16610973 0.76 PIK3CG (0.37) MAPK14
SCHEMBL16610899 0.76 RORC (0.35) MAPK14
SCHEMBL16610536 0.75 BRAF (0.39) JAK2PRKACA
SCHEMBL16611134 0.75 FFAR4 (0.36) MAPK14
SCHEMBL16610798 0.75 LRRK2 (0.35)

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 SLC6A2 4010/4885CHRM3 4444/4885HTR1A 4716/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SLC6A2 4010/4885CHRM3 4444/4885HTR1A 4716/4885

“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.