Sugi Predict

Sugi Predict / Compounds / SCHEMBL6783757

SCHEMBL6783757

SCHEMBL6783757

O=c1c2cccnc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CNR1 P21554 6/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL7745852 0.90 CYP3A4 (0.59) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6480122 0.86 TSHR (0.41) CYP3A4TSHRCNR1L3MBTL1MEN1
SCHEMBL7746055 0.81 CYP3A4 (0.72) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6247449 0.80 CYP3A4 (0.49) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL8366214 0.78 CYP3A4 (0.54) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL7741783 0.78 CYP3A4 (0.54) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL15282690 0.77 CYP3A4 (0.43) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL16695991 0.76 CYP3A4 (0.57) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6479793 0.76 CYP3A4 (0.50) CYP3A4NPSR1TSHRCRHBPCRHR2
SCHEMBL6274097 0.73 CYP3A4 (0.58) CYP3A4NPSR1TSHRCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 — — US disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 — — US disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 — — US 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 (2 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP3A4 217/4885NPSR1 4663/4885TSHR 4049/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP3A4 217/4885NPSR1 4663/4885TSHR 4049/4885

“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.