SCHEMBL3099688

SCHEMBL3099688

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCc2ncc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.41
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3105129 0.89 ITGB3 (0.37) NAMPTSIGMAR1CYP1A2CYP2C19ALDH1A1
SCHEMBL3114886 0.88 RAB9A (0.41) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3110887 0.86 MAPT (0.39) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3112521 0.85 RAB9A (0.41) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3110374 0.84 OPRM1 (0.44) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3103874 0.84 MAPK14 (0.41) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3105059 0.84 RXFP1 (0.36) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3110476 0.84 NAMPT (0.38) NAMPTCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3107658 0.83 MAPT (0.41) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD
SCHEMBL3115046 0.83 TTK (0.40) CYP1A2CYP2C19ALDH1A1CYP2C9HPGD

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 NAMPT 1494/4885SIGMAR1 118/4885CYP1A2 418/4885

“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.