Sugi Predict

Sugi Predict / Compounds / SCHEMBL3120116

SCHEMBL3120116

SCHEMBL3120116

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CNCc2nccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ MAPK14 Q16539 5/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL3114452 0.90 RXFP1 (0.37) RXFP1ROCK2MAPK14CYP1A2CYP2C19
SCHEMBL3115302 0.84 MAPK11 (0.45) MAPK14CYP1A2CYP2C19ALDH1A1MAPK11
SCHEMBL3105129 0.83 ITGB3 (0.37) RXFP1ROCK2MAPK14CYP1A2CYP2C19
SCHEMBL3116110 0.82 LMNA (0.42) MAPK14CYP1A2CYP2C19MAPK11CYP2D6
SCHEMBL3107658 0.81 MAPT (0.41) RXFP1MAPK14CYP1A2CYP2C19ALDH1A1
SCHEMBL3114886 0.81 RAB9A (0.41) RXFP1MAPK14CYP1A2CYP2C19ALDH1A1
SCHEMBL3110429 0.81 PKM (0.42) MAPK14CYP1A2CYP2C19ALDH1A1MAPK11
SCHEMBL3115214 0.81 OPRM1 (0.46) MAPK14CYP1A2CYP2C19ALDH1A1MAPK11
SCHEMBL3116893 0.80 SMYD3 (0.40) RXFP1MAPK14CYP1A2CYP2C19ALDH1A1
SCHEMBL3115726 0.80 CYP1A2 (0.42) RXFP1MAPK14CYP1A2CYP2C19ALDH1A1

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 77/4885ROCK2 2794/4885FLT3 438/4885

“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.