Sugi Predict

Sugi Predict / Compounds / SCHEMBL4130187

SCHEMBL4130187

SCHEMBL4130187

CCOC(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(OCCCN(C)C)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BRAF P15056 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ MET P08581 2/20 0.30
▸ EGFR P00533 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30

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
SCHEMBL4129683 0.91 SYK (0.34) SYKITKABL1BRAFCHEK2
SCHEMBL18833146 0.91 SYK (0.38) SYKITKABL1BRAFCHEK2
SCHEMBL3928248 0.91 SYK (0.44) SYKITKABL1BRAFCHEK2
SCHEMBL4129940 0.90 SYK (0.39) SYKITKABL1BRAFCHEK2
SCHEMBL4145845 0.89 BRAF (0.34) SYKITKABL1BRAFCHEK2
SCHEMBL4121832 0.89 ITK (0.36) SYKITKABL1BRAFCHEK2
SCHEMBL4135732 0.89 ITK (0.35) SYKITKABL1BRAFCHEK2
SCHEMBL4129592 0.89 AURKA (0.35) SYKITKABL1BRAFCHEK2
SCHEMBL3928475 0.89 ABL1 (0.34) SYKITKABL1BRAFCHEK2
SCHEMBL13737034 0.89 ABL1 (0.34) SYKITKABL1BRAFCHEK2

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
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 — — EP disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 — — US disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 — — US disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 — — US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 — — US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 — — US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 — — US 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 1817/4885ABL1 226/4885

“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.