Sugi Predict

Sugi Predict / Compounds / SCHEMBL2087200

SCHEMBL2087200

SCHEMBL2087200

NC1=NC(c2cccc(OS(=O)(=O)c3c(Cl)nc4sccn34)c2)(c2cc(Cl)nc(Cl)c2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.36
▸ HTR6 P50406 14/20 0.35
▸ HTR2C P28335 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ C5AR1 P21730 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ ADRA1A P35348 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
SCHEMBL13040001 0.82 HTR6 (0.39) HTR6BACE1KCNH2
SCHEMBL2085840 0.79 BACE1 (0.38) METHTR6BACE1KCNH2
SCHEMBL27750726 0.78 BACE1 (0.39) BACE1KCNH2
SCHEMBL28798408 0.76 BACE1 (0.34) BACE1KCNH2
SCHEMBL12785952 0.75 BACE1 (0.34) BACE1KCNH2
SCHEMBL2085749 0.75 BACE1 (0.34) CYP3A4ACLYBACE1KCNH2
SCHEMBL2082939 0.73 BACE1 (0.44) BACE1KCNH2
SCHEMBL4919290 0.71 BACE1 (0.45) BACE1
SCHEMBL2086015 0.68 BACE1 (0.46) BACE1KCNH2
SCHEMBL344080 0.63 MET (0.52) METHTR6HTR2CHTR7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US claimed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US claimed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 — — EP claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US claimed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 — — WO claimed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 — — US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 — — US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 — — 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 (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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 MET 4732/4885HTR6 1506/4885HTR2C 1481/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT MET 4818/4885HTR6 1984/4885HTR2C 1762/4885

“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.