SCHEMBL3109643

SCHEMBL3109643

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)c(OCCOc2cc(C(=O)NCC)ccc2-n2nnc(C(=O)NC3CC3)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.41
MAPK14 Q16539 3/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRD4 O60885 2/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL3107519 0.96 NR1I2 (0.42) NR1I2MAPK14HPGDCYP2C9
SCHEMBL3120840 0.95 NR1I2 (0.40) NR1I2MAPK14HPGDCYP2C9BRD4
SCHEMBL3114490 0.94 NR1I2 (0.41) NR1I2MAPK14HPGDCYP2C9BRD4
SCHEMBL3112317 0.93 NR1I2 (0.38) NR1I2MAPK14CYP2C9BRD4
SCHEMBL3109733 0.93 NR1I2 (0.41) NR1I2CYP2C9
SCHEMBL3106609 0.92 NR1I2 (0.40) NR1I2MAPK14HPGDCYP2C9
SCHEMBL3115253 0.92 BRD4 (0.40) NR1I2HPGDBRD4PDE4APDE4B
SCHEMBL3102791 0.92 NR1I2 (0.39) NR1I2MAPK14
SCHEMBL3118251 0.91 NR1I2 (0.44) NR1I2MAPK14HPGD
SCHEMBL3115156 0.91 NR1I2 (0.42) NR1I2MAPK14

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 NR1I2 296/4885MAPK14 1769/4885HPGD 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.