SCHEMBL3099854

SCHEMBL3099854

CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.46
SMYD3 Q9H7B4 3/20 0.42
HPGD P15428 1/20 0.42
MAPK14 Q16539 4/20 0.40
ALOX15 P16050 1/20 0.38
MAPK11 Q15759 2/20 0.38
NPC1 O15118 1/20 0.38
BRD4 O60885 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 1/20 0.37
NOTUM Q6P988 1/20 0.36
HSPB1 P04792 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3106891 0.92 ACKR3 (0.43) ACKR3SMYD3HPGDMAPK14ALOX15
SCHEMBL3115127 0.89 ACKR3 (0.45) ACKR3SMYD3HPGDMAPK14ALOX15
SCHEMBL3110302 0.86 ACKR3 (0.43) ACKR3SMYD3HPGDMAPK14BRD4
SCHEMBL3116022 0.84 ACKR3 (0.41) ACKR3SMYD3HPGDMAPK14ALOX15
SCHEMBL3120854 0.84 ACKR3 (0.41) ACKR3SMYD3HPGDMAPK14BRD4
SCHEMBL3115037 0.84 ACKR3 (0.41) ACKR3SMYD3HPGDMAPK14ALOX15
SCHEMBL3107316 0.84 ACKR3 (0.57) ACKR3SMYD3
SCHEMBL3105246 0.83 ACKR3 (0.41) ACKR3SMYD3HPGDMAPK14BRD4
SCHEMBL3110965 0.83 ACKR3 (0.43) ACKR3SMYD3HPGDMAPK14BRD4
SCHEMBL3112673 0.83 ACKR3 (0.41) ACKR3SMYD3HPGDMAPK14ALOX15

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 8 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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
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
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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
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 ACKR3 122/4885SMYD3 4007/4885HPGD 800/4885

“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.