SCHEMBL3106964

SCHEMBL3106964

CCCc1c(C(=O)NC2CC2)nnn1-c1ccc(NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.50
▸ NAMPT P43490 8/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MCHR1 Q99705 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
SCHEMBL3115740 0.91 ROCK1 (0.52) ROCK1EPHX1POLBMAPTRAB9A
SCHEMBL3106601 0.90 ROCK1 (0.47) ROCK1NAMPTEPHX1POLBMAPT
SCHEMBL3115126 0.89 ROCK1 (0.46) ROCK1NAMPTEPHX1POLBMAPT
SCHEMBL3113673 0.88 MAPK11 (0.50) ROCK1HPGDPOLBMAPTRAB9A
SCHEMBL13158409 0.87 TP53 (0.52) ROCK1NAMPTEPHX1HPGDMAPT
SCHEMBL3117396 0.86 ROCK1 (0.54) ROCK1POLBMAPTRAB9ANPC1
SCHEMBL3109629 0.86 ROCK1 (0.47) ROCK1EPHX1POLBMAPTRAB9A
SCHEMBL3114706 0.85 ROCK1 (0.43) ROCK1NAMPTEPHX1MAPTRAB9A
SCHEMBL3099742 0.84 ROCK1 (0.48) ROCK1POLBMAPTRXFP1
SCHEMBL3107222 0.83 ROCK1 (0.45) ROCK1EPHX1POLBMAPTRAB9A

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 ROCK1 1430/4885NAMPT 1494/4885EPHX1 1730/4885

“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.

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