Sugi Predict

Sugi Predict / Compounds / SCHEMBL3113587

SCHEMBL3113587

SCHEMBL3113587

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2CCc2ncn(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TTK P33981 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 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 0.87 RAB9A (0.41) MAPK14RIPK1CYP1A2CYP2C19HPGD
SCHEMBL3110887 0.85 MAPT (0.39) MAPK14GABRA5RIPK1CYP1A2CYP2C19
SCHEMBL3105059 0.85 RXFP1 (0.36) MAPK14GABRA5RIPK1CYP1A2CYP2C19
SCHEMBL3112521 0.84 RAB9A (0.41) MAPK14CYP1A2CYP2C19HPGDALDH1A1
SCHEMBL3110374 0.83 OPRM1 (0.44) MAPK14RIPK1CYP1A2CYP2C19HPGD
SCHEMBL3103874 0.83 MAPK14 (0.41) MAPK14RIPK1CYP1A2CYP2C19HPGD
SCHEMBL3110476 0.83 NAMPT (0.38) MAPK14GABRA5RIPK1CYP1A2CYP2C19
SCHEMBL3107658 0.83 MAPT (0.41) MAPK14RIPK1CYP1A2CYP2C19HPGD
SCHEMBL3115046 0.82 TTK (0.40) MAPK14CYP1A2CYP2C19HPGDALDH1A1
SCHEMBL3107441 0.82 CYP1A2 (0.39) MAPK14GABRA5RIPK1CYP1A2CYP2C19

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 MAPK14 1769/4885GABRA5 755/4885RIPK1 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.