SCHEMBL3116253

SCHEMBL3116253

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3cccc(F)c3)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.59
DDT P30046 3/20 0.58
BRD4 O60885 1/20 0.48
GLS O94925 1/20 0.47
MMP13 P45452 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ROCK2 O75116 1/20 0.46
NAMPT P43490 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
ACKR3 P25106 1/20 0.44

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
SCHEMBL3117451 0.85 MIF (0.55) MIFDDTNAMPTMEN1KMT2A
SCHEMBL15355919 0.84 MIF (0.58) MIFDDTACKR3
SCHEMBL5247632 0.80 GLS (0.42) MIFDDTBRD4GLSMMP13
SCHEMBL5246709 0.80 ROCK2 (0.42) MIFDDTBRD4GLSMMP13
SCHEMBL13158526 0.79 CCR1 (0.59) BRD4MMP13MAPTTP53ROCK2
SCHEMBL5246018 0.78 POLB (0.42) MIFDDTBRD4GLSMMP13
SCHEMBL3108441 0.78 CCR1 (0.47) BRD4MMP13MAPTTP53ROCK2
SCHEMBL5244366 0.76 CCR1 (0.45) BRD4MMP13MAPTTP53ROCK2
SCHEMBL10195548 0.76 ITK (0.47) MIFDDTMAPTTP53ROCK2
SCHEMBL3120079 0.74 CCR1 (0.45) BRD4MMP13MAPTTP53ROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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 (1 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MIF 4297/4885DDT 4203/4885BRD4 700/4885

“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.