SCHEMBL3589139

SCHEMBL3589139

O=[N+]([O-])c1c(Cl)ccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 8/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ CLK1 P49759 1/20 0.49
▸ DAPK3 O43293 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ PLK3 Q9H4B4 1/20 0.46
▸ PLK2 Q9NYY3 1/20 0.46
▸ IMPDH2 P12268 2/20 0.45
▸ CHUK O15111 1/20 0.40
▸ ERN1 O75460 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL10923361 0.87 HASPIN (0.47) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL1982292 0.80 TSHR (0.60) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL18935881 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL30481290 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL2502319 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL14423247 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL568019 0.80 HASPIN (0.54) HASPINGSK3BCLK1DAPK3PLK1
Bromide SCHEMBL16238937 0.79 HASPIN (0.52) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL568126 0.78 HASPIN (0.49) HASPINGSK3BCLK1DAPK3PLK1
SCHEMBL1982994 0.78 HASPIN (0.51) HASPINGSK3BCLK1DAPK3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 — — US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 — — US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 — — US disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 — — US disclosed
EP-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 — — EP disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 — — US disclosed
CN-1050183-A New N-aryl and N-heteroaryl amide and urea derivatives as acyl-coenzyme a cholesterol acyltransferase (ACAT) inhibitor PFIZER (US) 1991-03-27 — — CN disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 — — EP 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 HASPIN 1351/4885GSK3B 1086/4885CLK1 2237/4885

“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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