Sugi Predict

Sugi Predict / Compounds / SCHEMBL3214807

SCHEMBL3214807

SCHEMBL3214807

CCCOc1ccc(-c2ccc(CN3Cc4nc(-c5cccc(F)c5F)[nH]c4C=N3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ HTR1A P08908 1/20 0.31

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
SCHEMBL4060008 0.92 MAPT (0.35) BACE1HCRTR1HCRTR2MAPTRAB9A
SCHEMBL4053011 0.91 BACE1 (0.33) BACE1HCRTR1HCRTR2MAPTTP53
SCHEMBL4057339 0.90 GRM5 (0.33) BACE1TP53RAB9AALDH1A1SMN1; SMN2
SCHEMBL3210944 0.88 HTR2A (0.33) BACE1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4048726 0.87 PTGES (0.34) BACE1MAPTTP53RAB9ALMNA
SCHEMBL1221179 0.87 CA12 (0.34) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL1221224 0.86 CYP1A2 (0.35) BACE1MAPTCYP1A2MEN1KMT2A
SCHEMBL4058137 0.86 GRIN2B (0.36) ALDH1A1SMN1; SMN2HPGDCYP1A2GRIN2B
SCHEMBL4057266 0.86 HCRTR1 (0.35) HCRTR1HCRTR2ALDH1A1TSHRGRIN2B
SCHEMBL1220627 0.86 CA12 (0.34) MAPTRAB9AALDH1A1SMN1; SMN2NPC1

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
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-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 BACE1 2293/4885HCRTR1 4270/4885HCRTR2 4713/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 BACE1 1329/4885HCRTR1 4453/4885HCRTR2 4785/4885

“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.