Sugi Predict

Sugi Predict / Compounds / SCHEMBL4133817

SCHEMBL4133817

SCHEMBL4133817

CCN(CC)C(=O)Nc1c[nH]nc1-c1nc2cc(F)c(OCCN3CCCCC3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.50
▸ ITK Q08881 1/20 0.50
▸ CHEK2 O96017 2/20 0.39
▸ ACHE P22303 5/20 0.38
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL4142555 0.96 SYK (0.49) SYKITKCHEK2ACHEKDM4E
Trifluoroacetic Acid SCHEMBL4129766 0.96 SYK (0.46) SYKITKCHEK2ACHEHTR2A
Hydrochloric Acid SCHEMBL4134722 0.95 SYK (0.49) SYKITKCHEK2KDM4EALDH1A1
SCHEMBL4133840 0.92 SYK (0.53) SYKITKCHEK2ACHEKDM4E
Trifluoroacetic Acid SCHEMBL4134744 0.88 SYK (0.49) SYKITKCHEK2KDM4EALDH1A1
SCHEMBL3926346 0.87 CHEK2 (0.41) SYKITKCHEK2ACHEHTR2A
Hydrochloric Acid SCHEMBL4126862 0.86 CHEK2 (0.40) SYKITKCHEK2ACHEHTR2A
SCHEMBL13373932 0.86 SYK (0.66) SYKITKCHEK2KDM4EHPGD
SCHEMBL18833136 0.85 ACHE (0.43) CHEK2ACHEKDRFGFR1FLT1
SCHEMBL4121801 0.85 SYK (0.53) SYKITKCHEK2KDM4EHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 — — EP claimed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 — — US claimed
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 — — EP disclosed
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 — — EP disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 — — EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 — — WO disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 — — WO 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 SYK 392/4885ITK 1817/4885CHEK2 13/4885

“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.