SCHEMBL3107356

SCHEMBL3107356

CCOc1cc(C(=O)NC2CC2)ccc1-n1cc(C(=O)NC2CC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACKR3 P25106 3/20 0.46
RIPK2 O43353 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
SSTR5 P35346 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL3110302 0.94 ACKR3 (0.43) HPGDRAB9ASMN1; SMN2ACKR3RIPK2
SCHEMBL3110327 0.87 ACKR3 (0.42) HPGDACKR3
SCHEMBL3112178 0.86 ACKR3 (0.41) HPGDACKR3
SCHEMBL3107180 0.86 ACKR3 (0.41) HPGDACKR3
SCHEMBL3113604 0.86 CNR2 (0.40) HPGDACKR3
SCHEMBL3116022 0.86 ACKR3 (0.41) HPGDACKR3TP53
SCHEMBL3120854 0.86 ACKR3 (0.41) HPGDACKR3
SCHEMBL3111860 0.85 ACKR3 (0.40) HPGDRAB9ASMN1; SMN2ACKR3ALDH1A1
SCHEMBL3114010 0.85 CNR2 (0.40) HPGDACKR3
SCHEMBL3113338 0.85 SMPD1 (0.43) HPGDACKR3

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 HPGD 800/4885RAB9A 2959/4885SMN1; SMN2 4399/4885

“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.