SCHEMBL3112673

SCHEMBL3112673

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.41
MAPK14 Q16539 4/20 0.40
SMYD3 Q9H7B4 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
GLS O94925 1/20 0.34
HSPB1 P04792 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK11 Q15759 1/20 0.34
RIPK1 Q13546 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
SCHEMBL3106694 0.92 ACKR3 (0.42) ACKR3MAPK14SMYD3HPGDALOX15
SCHEMBL3103956 0.90 DRD4 (0.42) ACKR3MAPK14HPGDCYP2C9MAPK11
SCHEMBL3115592 0.89 ACKR3 (0.41) ACKR3MAPK14SMYD3HPGDGLS
SCHEMBL3107189 0.88 ACKR3 (0.42) ACKR3MAPK14SMYD3HPGDGLS
SCHEMBL3113338 0.86 SMPD1 (0.43) ACKR3MAPK14HPGDPLK1PLK3
SCHEMBL3114865 0.85 ACKR3 (0.42) ACKR3MAPK14SMYD3HPGDGLS
SCHEMBL3099854 0.83 ACKR3 (0.46) ACKR3MAPK14SMYD3HPGDALOX15
SCHEMBL3117684 0.83 BRD4 (0.43) ACKR3GLS
SCHEMBL3115127 0.82 ACKR3 (0.45) ACKR3MAPK14SMYD3HPGDALOX15
SCHEMBL3110373 0.82 ACKR3 (0.39) ACKR3MAPK14SMYD3HPGDGLS

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 122/4885MAPK14 1769/4885SMYD3 4007/4885

“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.