Sugi Predict

Sugi Predict / Compounds / SCHEMBL3109701

SCHEMBL3109701

SCHEMBL3109701

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ccccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ MAPK14 Q16539 4/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SMYD3 Q9H7B4 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PDE5A O76074 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
SCHEMBL3109703 1.00 GABRA5 (0.39) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3113157 0.87 HPGD (0.42) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3113167 0.87 HPGD (0.42) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3112324 0.86 GABRA5 (0.45) GABRA5CYP1A2CYP2C19CYP2D6MAPK14
SCHEMBL3112331 0.86 GABRA5 (0.45) GABRA5CYP1A2CYP2C19CYP2D6MAPK14
SCHEMBL3116914 0.84 GABRA5 (0.39) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3116909 0.84 GABRA5 (0.39) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3115039 0.82 RAB9A (0.39) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3117318 0.82 GABRA5 (0.40) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1
SCHEMBL3117309 0.82 GABRA5 (0.40) GABRA5CYP2C9CYP1A2CYP2C19ALDH1A1

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 GABRA5 755/4885CYP2C9 494/4885CYP1A2 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.