SCHEMBL718692

SCHEMBL718692

COCc1nn(-c2cccc(C(F)(F)F)n2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.41
PHGDH O43175 2/20 0.34
FLT3 P36888 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CRBN Q96SW2 1/20 0.33
GRIN2B Q13224 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK1 P51617 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
SCHEMBL27834195 0.83 IRAK4 (0.37) IRAK4PHGDHFLT3GRIN2BIRAK1
SCHEMBL720492 0.81 IRAK4 (0.41) IRAK4PHGDHFLT3DRD2DRD3
SCHEMBL719035 0.80 ACACB (0.35) IRAK4PHGDHFLT3DRD2DRD3
SCHEMBL718319 0.75 ADRB1 (0.37)
SCHEMBL718337 0.75 DRD3 (0.36) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL27852363 0.72 RAB9A (0.56) DRD2TSHRMAPK1HSD17B10
SCHEMBL1806117 0.71 NOTUM (0.46) TSHRMAPK1HSD17B10
SCHEMBL719685 0.70 HSD17B10 (0.59) TSHRMAPK1HSD17B10
SCHEMBL6035150 0.70 ACACB (0.37) IRAK4DRD2DRD3GRIN2B
SCHEMBL1805973 0.68 KDM4E (0.39)

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IRAK4 3062/4885PHGDH 2726/4885FLT3 2154/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IRAK4 3062/4885PHGDH 2726/4885FLT3 2154/4885

“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.