SCHEMBL3111807

SCHEMBL3111807

CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)cc1OCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
NOTUM Q6P988 1/20 0.43
FAAH O00519 2/20 0.42
MGLL Q99685 2/20 0.42
ACKR3 P25106 3/20 0.41
BRD4 O60885 1/20 0.41
ESRRA P11474 1/20 0.38
CNR2 P34972 2/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL3120494 0.91 NOTUM (0.54) MIFNOTUMACKR3BRD4CNR2
SCHEMBL3112254 0.86 ACKR3 (0.42) MIFNOTUMACKR3
SCHEMBL3118064 0.84 BRD4 (0.49) FAAHBRD4CNR2
SCHEMBL3115990 0.84 BRD4 (0.51) BRD4CNR2
SCHEMBL3103956 0.76 DRD4 (0.42) MIFFAAHMGLLACKR3BRD4
SCHEMBL3107316 0.74 ACKR3 (0.57) MIFACKR3ESRRARIPK1
SCHEMBL3117580 0.74 BRD4 (0.52) NOTUMBRD4
SCHEMBL3099940 0.74 ACKR3 (0.39) FAAHMGLLACKR3BRD4
SCHEMBL3105246 0.72 ACKR3 (0.41) FAAHACKR3BRD4CNR2
SCHEMBL3116006 0.72 BRD4 (0.52) MIFBRD4

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 4297/4885NOTUM 1897/4885FAAH 1336/4885

“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.