SCHEMBL3105059

SCHEMBL3105059

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCc2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
ROCK1 Q13464 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA5 P31644 1/20 0.35
TP53 P04637 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL3114886 0.88 RAB9A (0.41) RXFP1ROCK1RIPK1ALDH1A1CYP1A2
SCHEMBL3110887 0.86 MAPT (0.39) RXFP1RIPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL3112521 0.85 RAB9A (0.41) RXFP1ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL3113587 0.85 MAPK14 (0.38) RXFP1RIPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL3110374 0.84 OPRM1 (0.44) RIPK1ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL3103874 0.84 MAPK14 (0.41) RXFP1RIPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL3099688 0.84 NAMPT (0.41) ALDH1A1CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL3107658 0.83 MAPT (0.41) RXFP1RIPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL3115046 0.83 TTK (0.40) RXFP1ALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL3107441 0.83 CYP1A2 (0.39) RXFP1RIPK1ALDH1A1CYP1A2CYP2C19

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 RXFP1 77/4885ROCK1 1430/4885RIPK1 1456/4885

“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.