SCHEMBL16611377

SCHEMBL16611377

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER1 P34995 1/20 0.35
NPC1 O15118 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
RORC P51449 2/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 2/20 0.33
MAPT P10636 2/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.89 MAP4K1 (0.39) ALDH1A1MEN1KMT2APTGER1RORC
SCHEMBL16611853 0.85 MAPK1 (0.42) ALDH1A1MEN1KMT2APTGER1NPC1
SCHEMBL16623593 0.85 RORC (0.45) PTGER1RORCHPGDJAK2JAK1
SCHEMBL16611046 0.84 PTGER1 (0.39) PTGER1NPC1ROCK2ROCK1RORC
SCHEMBL16611344 0.84 NPSR1 (0.44) ALDH1A1MEN1KMT2APTGER1HPGD
SCHEMBL16611101 0.81 JAK2 (0.40) ALDH1A1MEN1KMT2APTGER1RORC
SCHEMBL16610947 0.80 MAP4K4 (0.38) ALDH1A1MEN1KMT2APTGER1PARP1
SCHEMBL16610708 0.77 RORC (0.36) ALDH1A1MEN1KMT2ARORCJAK2
SCHEMBL16610796 0.77 MAPK14 (0.36) ALDH1A1MEN1KMT2ARORCJAK2
SCHEMBL16611283 0.77 PTGER1 (0.40) PTGER1NPC1PARP1TRPV1CHEK1

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 6 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
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 ALDH1A1 3511/4885MEN1 200/4885KMT2A 105/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885MEN1 200/4885KMT2A 105/4885

“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.