SCHEMBL16611332

SCHEMBL16611332

CN1CCN(c2ccc(-c3nn(-c4c(F)cccc4F)c4cc[nH]c(=O)c34)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 2/20 0.35
PTGER1 P34995 1/20 0.33
RORC P51449 1/20 0.32
SCN5A Q14524 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL16611292 0.84 SCN9A (0.39) SCN9AROCK2ROCK1PTGER1RORC
SCHEMBL16610785 0.83 F10 (0.36) PTGER1
SCHEMBL16610759 0.82 SCN9A (0.35) SCN9ASCN10AROCK2ROCK1RORC
SCHEMBL16611236 0.82 DGAT1 (0.36) PTGER1DGAT1
SCHEMBL16611949 0.81 ZAP70 (0.41) ROCK1
SCHEMBL16726713 0.81 KHK (0.37)
Hydrochloric Acid SCHEMBL16611399 0.80 ZAP70 (0.41) ROCK1
SCHEMBL18052632 0.80 PTGER1 (0.33) PTGER1
SCHEMBL16610679 0.79 GFER (0.37) PTGER1DGAT1
SCHEMBL16611480 0.79 SMN1; SMN2 (0.38) PTGER1

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 SCN9A 3718/4885SCN10A 2136/4885ROCK2 580/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 SCN9A 3718/4885SCN10A 2136/4885ROCK2 580/4885

“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.