SCHEMBL5311602

SCHEMBL5311602

NNc1ccc2c(=O)n(Cc3ccsc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ GRM4 Q14833 2/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ PARP15 Q460N3 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 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
SCHEMBL5311595 0.82 ACHE (0.44) HSP90AB1LMNAMAPT
SCHEMBL5309410 0.80 ALDH1A1 (0.43) ROCK2ROCK1GRM4LMNA
SCHEMBL5310870 0.80 MAPT (0.47) LMNAMAPT
SCHEMBL5316206 0.78 SCD (0.46) LMNAMAPT
SCHEMBL5316623 0.78 CYP19A1 (0.42) ROCK2ROCK1KLKB1LMNA
SCHEMBL5313911 0.78 LMNA (0.46) LMNAMAPT
SCHEMBL5313061 0.77 MAPT (0.49) ROCK2ROCK1LMNAMAPT
SCHEMBL5311119 0.76 FLT3 (0.45) GRM4CHEK1FLT3LMNAMAPT
SCHEMBL5313087 0.74 GRM2 (0.52) GRM4CHEK1FLT3
SCHEMBL5313944 0.73 THRB (0.44) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053352-A2 PYRROLOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 — — WO disclosed
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 — — 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 (1 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-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C JAK3 1814/4885TLR7 527/4885JAK1 2287/4885

“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.

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