SCHEMBL3112178

SCHEMBL3112178

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.41
CNR2 P34972 6/20 0.39
SMPD1 P17405 1/20 0.39
MAPK14 Q16539 2/20 0.38
FAAH O00519 2/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 2/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PLK2 Q9NYY3 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
SCHEMBL3107180 1.00 ACKR3 (0.41) ACKR3CNR2SMPD1MAPK14FAAH
SCHEMBL3110327 0.99 ACKR3 (0.42) ACKR3CNR2SMPD1MAPK14FAAH
SCHEMBL5246436 0.97 ACKR3 (0.44) ACKR3CNR2MAPK14FAAHPLK1
SCHEMBL5245285 0.94 BRD4 (0.43) ACKR3CNR2FAAHBRD4PLK1
SCHEMBL3110965 0.94 ACKR3 (0.43) ACKR3CNR2MAPK14HPGDBRD4
SCHEMBL3106830 0.92 MAPK14 (0.45) ACKR3CNR2SMPD1MAPK14HPGD
SCHEMBL3113338 0.92 SMPD1 (0.43) ACKR3CNR2SMPD1MAPK14FAAH
SCHEMBL3114010 0.92 CNR2 (0.40) ACKR3CNR2SMPD1MAPK14FAAH
SCHEMBL3113604 0.91 CNR2 (0.40) ACKR3CNR2SMPD1MAPK14FAAH
SCHEMBL3113676 0.91 ACKR3 (0.41) ACKR3CNR2MAPK14BRD4PLK1

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 ACKR3 122/4885CNR2 39/4885SMPD1 4285/4885

“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.