SCHEMBL16610733

SCHEMBL16610733

O=C(Cc1ccc(-c2nn(-c3c(F)cccc3F)c3c(Br)c[nH]c(=O)c23)cc1)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM1 P11229 1/20 0.37
SIGMAR1 Q99720 8/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIA2 P42262 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CCR3 P51677 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
SCHEMBL16611045 0.79 KDM5B (0.33)
SCHEMBL16611361 0.77 EPHB4 (0.33)
SCHEMBL16611152 0.75 PDGFRB (0.41) ROCK1MEN1ALDH1A1KMT2ATSHR
SCHEMBL16611258 0.75 KCNJ5 (0.35) CYP3A4
SCHEMBL16611586 0.74 PIM1 (0.38)
SCHEMBL16611075 0.74 ROCK2 (0.39) ROCK2
SCHEMBL16611175 0.72 CDK2 (0.38)
SCHEMBL16611520 0.71 PTGER1 (0.32)
SCHEMBL16611190 0.71 MAPK10 (0.38) ROCK1CYP3A4CYP2C9
SCHEMBL16610710 0.70 LMNA (0.33) KMT2ALMNACYP3A4NPC1PKM

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 ROCK2 580/4885ROCK1 479/4885MEN1 200/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ROCK2 580/4885ROCK1 479/4885MEN1 200/4885

“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.