SCHEMBL3912822

SCHEMBL3912822

O=Cc1ccnc2c(Cl)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.63
CCR8 P51685 2/20 0.63
CCR5 P51681 1/20 0.63
NR4A2 P43354 1/20 0.56
KDM4E B2RXH2 6/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HSP90AA1 P07900 3/20 0.51
NPC1 O15118 1/20 0.51
IDO1 P14902 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.47
MAP4K4 O95819 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL31553579 0.80 CCR1 (0.71) CCR1CCR8CCR5NR4A2KDM4E
SCHEMBL21625616 0.79 KDM4E (0.75) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL516559 0.79 CCR1 (0.63) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL9034116 0.79 CCR1 (0.69) CCR1CCR8CCR5NR4A2KDM4E
SCHEMBL3829932 0.79 CCR1 (0.63) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL23760627 0.79 CCR1 (0.63) CCR1CCR8CCR5NR4A2KDM4E
SCHEMBL1088410 0.78 CCR1 (1.00) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL6538409 0.78 TYK2 (0.51) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL318769 0.77 NR4A2 (0.68) CCR1CCR8NR4A2KDM4EKMT2A
SCHEMBL29410781 0.77 NR4A2 (0.68) CCR1CCR8NR4A2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO disclosed
CN-1025854-C Process for preparing quinolyl oxazol-2-ones MERRELL DOW PHARMA (US) 1994-09-07 CN disclosed
EP-0365863-B1 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMA (US) 1994-08-17 EP disclosed
EP-0428105-B1 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
EP-0428107-B1 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
US-5190957-A TREATMENT OF MULTI-DRUG RESISTANT TUMORS WITH QUINOLYL-AND ISOQUINOLYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-02 US disclosed
US-5061715-A Useful in treating AIDS and ARC MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-29 US disclosed
EP-0428107-A2 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
EP-0428105-A2 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
US-4999431-A Reacting A Bromoquinoline Compound With Butyllithium And An N-Methyl-N-Methoxyalkanamide; Intermediates for Quinolyloxazole-2-ones MERRELL DOW PHARMACEUTICALS (US) 1991-03-12 US disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 US disclosed
CN-1042145-A New quinolyl  azoles-2-ketone compounds as inhibitors of protein kinase C MERRELL DOW PHARMA (US) 1990-05-16 CN disclosed
EP-0365863-A2 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-02 EP disclosed
US-4886811-A HYPOTENSIVE AGENTS AND VASODILATORS MERRELL DOW PHARMACEUTICALS (US) 1989-12-12 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 CCR1 56/4885CCR8 309/4885CCR5 248/4885

“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.