Sugi Predict

Sugi Predict / Compounds / SCHEMBL3210128

SCHEMBL3210128

SCHEMBL3210128

Fc1ccccc1-c1nc2c([nH]1)C=NN(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ HCRTR1 O43613 9/20 0.35
▸ HCRTR2 O43614 9/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL4057266 0.90 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1TSHRHTR2C
SCHEMBL3187809 0.86 CXCR2 (0.38) ALDH1A1CXCR2MEN1HPGDKMT2A
SCHEMBL1221510 0.84 CA12 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4054871 0.83 RORC (0.36) HCRTR1HCRTR2ALDH1A1
SCHEMBL4054807 0.83 CHRM5 (0.38) HCRTR1HCRTR2
SCHEMBL4052792 0.81 ACP1 (0.37) ALDH1A1CXCR2CYP11B1CYP11B2MEN1
SCHEMBL4052721 0.81 ACP1 (0.38) ALDH1A1CXCR2CYP11B1CYP11B2MEN1
SCHEMBL4051060 0.79 S1PR5 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4058255 0.79 CHRM5 (0.38) —
SCHEMBL4053145 0.78 CHRM5 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO claimed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 — — US claimed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 — — US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 — — WO disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 — — 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 BCHE 1725/4885ACHE 1203/4885BACE1 2293/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 BCHE 2131/4885ACHE 2115/4885BACE1 1329/4885

“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.