SCHEMBL327547

SCHEMBL327547

Oc1ccc(-c2nc3c(s2)CNCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.48
CD274 Q9NZQ7 8/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
TLR8 Q9NR97 1/20 0.47
HDAC2 Q92769 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
QDPR P09417 1/20 0.39
USP7 Q93009 1/20 0.37
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL15933482 0.85 PDCD1 (0.54) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15933625 0.85 PDCD1 (0.48) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15933483 0.85 PDCD1 (0.48) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3156931 0.85 PDCD1 (0.54) PDCD1CD274TLR9TLR7TLR8
SCHEMBL407298 0.84 PDCD1 (0.54) PDCD1CD274TLR9TLR7TLR8
Hydrochloric Acid SCHEMBL30785571 0.84 PDCD1 (0.53) PDCD1CD274TLR9TLR7TLR8
SCHEMBL12340037 0.83 PDCD1 (0.52) PDCD1CD274TLR9TLR7TLR8
Bromide SCHEMBL439705 0.83 PDCD1 (0.53) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15933632 0.82 PDCD1 (0.53) PDCD1CD274TLR9TLR7TLR8
Hydrochloric Acid SCHEMBL3441450 0.82 PDCD1 (0.51) PDCD1CD274TLR9TLR7TLR8

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590980-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004373-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 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 (4 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-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 PDCD1 3529/4885CD274 2792/4885TLR9 1266/4885
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 PDCD1 2177/4885CD274 1084/4885TLR9 1618/4885
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 PDCD1 3529/4885CD274 2792/4885TLR9 1266/4885
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 PDCD1 3715/4885CD274 4251/4885TLR9 4728/4885

“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.