SCHEMBL16610908

SCHEMBL16610908

O=C1CCC(=O)N1Cc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RORC P51449 2/20 0.33
CHRM5 P08912 2/20 0.32
GRM2 Q14416 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TNF P01375 2/20 0.30

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
SCHEMBL16611245 0.87 GRIA2 (0.39) RORCGRM2
SCHEMBL16610943 0.85 CYP2A13 (0.42) DCTPP1ALDH1A1MEN1KMT2A
SCHEMBL16611157 0.83 KCNJ5 (0.34) KCNJ5KCNJ3RORC
SCHEMBL16611258 0.83 KCNJ5 (0.35) KCNJ5KCNJ3RORCCA2
SCHEMBL16611740 0.83 LTA4H (0.37) ALDH1A1GRM2
SCHEMBL16611069 0.81 PRKAB2 (0.38) ALDH1A1RORC
SCHEMBL16611103 0.80 KDM4E (0.43) ALDH1A1RORC
Hydrochloric Acid SCHEMBL16611325 0.80 KDM4E (0.43) ALDH1A1RORC
SCHEMBL16726679 0.79 MAP2K4 (0.42) KCNJ5KCNJ3RORC
SCHEMBL16610794 0.79 ALDH1A1 (0.34) KCNJ5KCNJ3ALDH1A1

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 DCTPP1 3642/4885KCNJ5 2242/4885KCNJ3 2857/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DCTPP1 3642/4885KCNJ5 2242/4885KCNJ3 2857/4885

“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.