SCHEMBL3101212

SCHEMBL3101212

O=C(NC1CC1)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCCOCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
TMEM97 Q5BJF2 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
BRD4 O60885 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40

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
SCHEMBL3115010 0.95 MAPK11 (0.41) MAPK11MAPK14TMEM97RAB9AMAPT
SCHEMBL3117732 0.93 MAPK11 (0.39) MAPK11MAPK14SMN1; SMN2LMNABRD4
SCHEMBL3112021 0.93 GLS (0.40) MAPK11MAPK14RAB9AMAPTMEN1
SCHEMBL3113884 0.92 OPRM1 (0.40) MAPK11MAPK14RAB9ASMN1; SMN2SLC6A5
SCHEMBL3112209 0.91 SLC6A5 (0.40) MAPK11MAPK14TMEM97LMNASLC6A5
SCHEMBL3099846 0.89 GLS (0.41) MAPK11MAPK14MAPTSMN1; SMN2OPRM1
SCHEMBL3118328 0.83 BRD4 (0.42) MAPK11MAPK14MAPTSMN1; SMN2LMNA
SCHEMBL3099684 0.83 RAB9A (0.45) MAPK11MAPK14RAB9AMAPTSMN1; SMN2
SCHEMBL3101218 0.82 OPRM1 (0.46) MAPK11MAPK14RAB9AMAPTSMN1; SMN2
SCHEMBL3112589 0.82 RAB9A (0.44) MAPK11MAPK14RAB9AMAPTSMN1; SMN2

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 MAPK11 2236/4885MAPK14 1769/4885TMEM97 2392/4885

“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.